5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one

C70H122O6 — CID 161490680

IUPAC5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one
SMILESCC/C=C\CCC1CC(=O)C=C(C)C1.CC1=CC(O)CC(CC(C)C)C1.CCCC1CC(=O)C=C(C)C1.CCCC1CC(C)=CC(O)C1.CCCCCC1CC(C)=CC(O)C1.CCCCCCCC1CC(C)=CC(O)C1
InChIInChI=1S/C14H26O.C13H20O.C12H22O.C11H20O.C10H18O.C10H16O/c1-3-4-5-6-7-8-13-9-12(2)10-14(15)11-13;1-3-4-5-6-7-12-8-11(2)9-13(14)10-12;1-3-4-5-6-11-7-10(2)8-12(13)9-11;1-8(2)4-10-5-9(3)6-11(12)7-10;2*1-3-4-9-5-8(2)6-10(11)7-9/h10,13-15H,3-9,11H2,1-2H3;4-5,9,12H,3,6-8,10H2,1-2H3;8,11-13H,3-7,9H2,1-2H3;6,8,10-12H,4-5,7H2,1-3H3;6,9-11H,3-5,7H2,1-2H3;6,9H,3-5,7H2,1-2H3/b;5-4-;;;;
InChIKeyWFOJCFBKYSOGIO-ZNXYVDIPSA-N
MW1059.74 g/mol
LogP18.97
Rot. Bonds20

About 5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one

5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one (PubChem CID 161490680) has the molecular formula C70H122O6 and a molecular weight of 1059.74 g/mol. Its IUPAC name is 5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one.

Molecular Properties

Compound Name5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one
PubChem CID161490680
Molecular FormulaC70H122O6
Molecular Weight1059.74 g/mol
Exact Mass1058.92
IUPAC Name5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one
SMILESCC/C=C\CCC1CC(=O)C=C(C)C1.CC1=CC(O)CC(CC(C)C)C1.CCCC1CC(=O)C=C(C)C1.CCCC1CC(C)=CC(O)C1.CCCCCC1CC(C)=CC(O)C1.CCCCCCCC1CC(C)=CC(O)C1
InChIInChI=1S/C14H26O.C13H20O.C12H22O.C11H20O.C10H18O.C10H16O/c1-3-4-5-6-7-8-13-9-12(2)10-14(15)11-13;1-3-4-5-6-7-12-8-11(2)9-13(14)10-12;1-3-4-5-6-11-7-10(2)8-12(13)9-11;1-8(2)4-10-5-9(3)6-11(12)7-10;2*1-3-4-9-5-8(2)6-10(11)7-9/h10,13-15H,3-9,11H2,1-2H3;4-5,9,12H,3,6-8,10H2,1-2H3;8,11-13H,3-7,9H2,1-2H3;6,8,10-12H,4-5,7H2,1-3H3;6,9-11H,3-5,7H2,1-2H3;6,9H,3-5,7H2,1-2H3/b;5-4-;;;;
InChIKeyWFOJCFBKYSOGIO-ZNXYVDIPSA-N
XLogP18.97
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.74
LogP ≤ 518.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(5-butyl-3-methylcyclohex-2-en-1-one);5-ethyl-3-methylcyclohex-2-en-1-ol;5-ethyl-3-methylcyclohex-2-en-1-one;(5-ethyl-3-methylcyclohex-2-en-1-yl) acetate;5-hexyl-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-one;3-methyl-5-pentylcyclohex-2-en-1-one;3-methyl-5-propylcyclohex-2-en-1-one
CID 159177026
5-butyl-3-methylcyclohex-2-en-1-ol;(5-butyl-3-methylcyclohex-2-en-1-yl) acetate
CID 159099614
5-butyl-3-methylcyclohex-2-ene-1-carbaldehyde
CID 174746756
5-tridecylcyclohexane-1,3-dione
CID 71394051
5-[3-(4-fluorophenyl)propyl]-3-methylcyclohex-2-en-1-one
CID 144623961
4-undecylcyclopentane-1,2-dione
CID 54303237
3,5-dimethylcyclohex-2-en-1-one;ethane;pentane
CID 144844935
(2S)-6-methyl-2-tridecyl-2,3-dihydropyran-4-one
CID 163108678
5-decylcyclohex-2-en-1-one
CID 139985452
2-(2-hydroxytridecyl)-6-methyl-2,3-dihydropyran-4-one
CID 162818844
1-(2-methylpropyl)-3-propylcyclopentane
CID 14325896
2-hex-3-enylcyclopropan-1-ol
CID 123588538

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one?
The IUPAC name of 5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one (CID 161490680) is 5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one.
What is the SMILES notation for 5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one?
The canonical SMILES for 5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one is CC/C=C\CCC1CC(=O)C=C(C)C1.CC1=CC(O)CC(CC(C)C)C1.CCCC1CC(=O)C=C(C)C1.CCCC1CC(C)=CC(O)C1.CCCCCC1CC(C)=CC(O)C1.CCCCCCCC1CC(C)=CC(O)C1.
What is the InChIKey of 5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one?
The InChIKey is WFOJCFBKYSOGIO-ZNXYVDIPSA-N. The full InChI is InChI=1S/C14H26O.C13H20O.C12H22O.C11H20O.C10H18O.C10H16O/c1-3-4-5-6-7-8-13-9-12(2)10-14(15)11-13;1-3-4-5-6-7-12-8-11(2)9-13(14)10-12;1-3-4-5-6-11-7-10(2)8-12(13)9-11;1-8(2)4-10-5-9(3)6-11(12)7-10;2*1-3-4-9-5-8(2)6-10(11)7-9/h10,13-15H,3-9,11H2,1-2H3;4-5,9,12H,3,6-8,10H2,1-2H3;8,11-13H,3-7,9H2,1-2H3;6,8,10-12H,4-5,7H2,1-3H3;6,9-11H,3-5,7H2,1-2H3;6,9H,3-5,7H2,1-2H3/b;5-4-;;;;.
What are the key properties of 5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one?
5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one has a molecular weight of 1059.74 g/mol, XLogP of 18.97, 20 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-3-methylcyclohex-2-en-1-ol;5-[(Z)-hex-3-enyl]-3-methylcyclohex-2-en-1-one;3-methyl-5-(2-methylpropyl)cyclohex-2-en-1-ol;3-methyl-5-pentylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-ol;3-methyl-5-propylcyclohex-2-en-1-one is sourced from PubChem (CID 161490680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).