2-heptylidene-3-hexyl-5-methylcyclohex-3-en-1-ol

C20H36O — CID 71428384

IUPAC2-heptylidene-3-hexyl-5-methylcyclohex-3-en-1-ol
SMILESCCCCCCC=C1C(CCCCCC)=CC(C)CC1O
InChIInChI=1S/C20H36O/c1-4-6-8-10-12-14-19-18(13-11-9-7-5-2)15-17(3)16-20(19)21/h14-15,17,20-21H,4-13,16H2,1-3H3
InChIKeyRJEDKRQTYPSCBH-UHFFFAOYSA-N
MW292.51 g/mol
LogP6.18
Rot. Bonds10

About 2-heptylidene-3-hexyl-5-methylcyclohex-3-en-1-ol

2-heptylidene-3-hexyl-5-methylcyclohex-3-en-1-ol (PubChem CID 71428384) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is 2-heptylidene-3-hexyl-5-methylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name2-heptylidene-3-hexyl-5-methylcyclohex-3-en-1-ol
PubChem CID71428384
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name2-heptylidene-3-hexyl-5-methylcyclohex-3-en-1-ol
SMILESCCCCCCC=C1C(CCCCCC)=CC(C)CC1O
InChIInChI=1S/C20H36O/c1-4-6-8-10-12-14-19-18(13-11-9-7-5-2)15-17(3)16-20(19)21/h14-15,17,20-21H,4-13,16H2,1-3H3
InChIKeyRJEDKRQTYPSCBH-UHFFFAOYSA-N
XLogP6.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-dodecylidene-4-hydroxy-5-methyloxolan-2-one
CID 78381803
(1R,2Z)-2-octylidenecyclopentan-1-ol
CID 177383761
(2R)-4-[(Z)-hexacos-17-enyl]-2-methyl-2H-furan-5-one
CID 10939489
3-hexadecylidenecyclohexan-1-ol
CID 91228547
(4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one
CID 13158022
(2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol
CID 11369258
heptadecylidenecyclopropane
CID 19760704
1-dodec-6-enyl-3-heptylcyclopropene
CID 123978294
(4S)-4-hydroxy-3-icosylidene-5-methylideneoxolan-2-one
CID 162973629
4-hydroxy-5-methylidene-3-tridecylideneoxolan-2-one
CID 85079263
7-(3-hydroxy-2-octyl-5-oxocyclopentylidene)heptanoic acid
CID 54546160
(2R)-4-heptyl-2-methyl-2H-furan-5-one
CID 10774282

Frequently Asked Questions

What is the IUPAC name of 2-heptylidene-3-hexyl-5-methylcyclohex-3-en-1-ol?
The IUPAC name of 2-heptylidene-3-hexyl-5-methylcyclohex-3-en-1-ol (CID 71428384) is 2-heptylidene-3-hexyl-5-methylcyclohex-3-en-1-ol.
What is the SMILES notation for 2-heptylidene-3-hexyl-5-methylcyclohex-3-en-1-ol?
The canonical SMILES for 2-heptylidene-3-hexyl-5-methylcyclohex-3-en-1-ol is CCCCCCC=C1C(CCCCCC)=CC(C)CC1O.
What is the InChIKey of 2-heptylidene-3-hexyl-5-methylcyclohex-3-en-1-ol?
The InChIKey is RJEDKRQTYPSCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O/c1-4-6-8-10-12-14-19-18(13-11-9-7-5-2)15-17(3)16-20(19)21/h14-15,17,20-21H,4-13,16H2,1-3H3.
What are the key properties of 2-heptylidene-3-hexyl-5-methylcyclohex-3-en-1-ol?
2-heptylidene-3-hexyl-5-methylcyclohex-3-en-1-ol has a molecular weight of 292.51 g/mol, XLogP of 6.18, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptylidene-3-hexyl-5-methylcyclohex-3-en-1-ol is sourced from PubChem (CID 71428384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).