4-(Propan-2-yl)cyclohex-3-ene-1-carbaldehyde
PubChem CID: 15601950
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| Compound Synonyms | 27841-22-1, 3-Cyclohexene-1-carboxaldehyde, 4-(1-methylethyl)-, 3-p-Menthen-7-al, T7QZ3GA2CW, Fema No. 4890, 4-propan-2-ylcyclohex-3-ene-1-carbaldehyde, 3-Cyclohexene-1-carboxaldehyde, 4-isopropyl-, UNII-T7QZ3GA2CW, 4-Isopropyl-3-cyclohexene-1-carbaldehyde, DTXSID90575474, 4-(Propan-2-yl)cyclohex-3-ene-1-carbaldehyde, 4-(1-Methylethyl)-3-cyclohexene-1-carboxaldehyde, p-mentha-3-en-7-al, SCHEMBL4451624, DTXCID10526246, CBA84122, 4-Isopropylcyclohex-3-enecarbaldehyde, 4-isopropyl-3-cyclohexene-1-carboxaldehyde, 4-ISOPROPYLCYCLOHEX-3-ENE-1-CARBALDEHYDE, EN300-6808812, Z1511819317, 854-628-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Menthane monoterpenoids, Monocyclic monoterpenoids |
| Deep Smiles | O=CCCCC=CC6))CC)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-propan-2-ylcyclohex-3-ene-1-carbaldehyde |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | C1=CCCCC1 |
| Inchi Key | MGJVBPPEWVKZTN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 3-p-menthen-7-al |
| Esol Class | Very soluble |
| Functional Groups | CC=C(C)C, CC=O |
| Compound Name | 4-(Propan-2-yl)cyclohex-3-ene-1-carbaldehyde |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h5,7-9H,3-4,6H2,1-2H3 |
| Smiles | CC(C)C1=CCC(CC1)C=O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cuminum Cyminum (Plant) Rel Props:Reference:ISBN:9788171360536