Phytochemical: 1-Pentene n-pentane

Connections displayed (default: 10).

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Compound Synonyms	pentene pentane, 1-pentene n-pentane, ODNTYCQMAAGQTQ-UHFFFAOYSA-N
Topological Polar Surface Area	0.0
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	10.0
Isotope Atom Count	0.0
Molecular Complexity	28.7
Database Name	cmaup_ingredients;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	pentane, pent-1-ene
Prediction Hob	1.0
Molecular Formula	C10H22
Prediction Swissadme	0.0
Inchi Key	ODNTYCQMAAGQTQ-UHFFFAOYSA-N
Fcsp3	0.8
Logs	-3.202
Rotatable Bond Count	4.0
Logd	3.213
Compound Name	1-Pentene n-pentane
Prediction Hob Swissadme	0.0
Exact Mass	142.172
Formal Charge	0.0
Monoisotopic Mass	142.172
Hydrogen Bond Acceptor Count	0.0
Molecular Weight	142.28
Covalent Unit Count	2.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Esol	-3.816073199999999
Inchi	InChI=1S/C5H12.C5H10/c2*1-3-5-4-2/h3-5H2,1-2H3, 3H,1,4-5H2,2H3
Smiles	CCCCC.CCCC=C
Nring	0.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Boswellia Carterii (Plant) Rel Props:Source_db:cmaup_ingredients
2. Outgoing r'ship FOUND_IN to/from Commiphora Myrrha (Plant) Rel Props:Source_db:cmaup_ingredients
3. Outgoing r'ship FOUND_IN to/from Coriandrum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients
4. Outgoing r'ship FOUND_IN to/from Cryptotaenia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients
5. Outgoing r'ship FOUND_IN to/from Liquidambar Formosana (Plant) Rel Props:Source_db:cmaup_ingredients
6. Outgoing r'ship FOUND_IN to/from Mosla Dianthera (Plant) Rel Props:Source_db:cmaup_ingredients
7. Outgoing r'ship FOUND_IN to/from Pandanus Tectorius (Plant) Rel Props:Source_db:cmaup_ingredients
8. Outgoing r'ship FOUND_IN to/from Pinus Koraiensis (Plant) Rel Props:Source_db:cmaup_ingredients
9. Outgoing r'ship FOUND_IN to/from Valeriana Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients

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