2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol

C15H24O — CID 14287403

IUPAC2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol
SMILESC=C1C=CC(C(C)CC(O)C=C(C)C)CC1
InChIInChI=1S/C15H24O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-16H,3,6,8,10H2,1-2,4H3
InChIKeyKRPZTCZJBVPGEM-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.86
Rot. Bonds4

About 2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol

2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol (PubChem CID 14287403) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol.

Molecular Properties

Compound Name2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol
PubChem CID14287403
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol
SMILESC=C1C=CC(C(C)CC(O)C=C(C)C)CC1
InChIInChI=1S/C15H24O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-16H,3,6,8,10H2,1-2,4H3
InChIKeyKRPZTCZJBVPGEM-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Lutein A
CID 5281243
Carveol
CID 7438
Carveol, trans-(-)-
CID 94221
Carveol, cis-(-)-
CID 330573
Sobrerol
CID 91463
p-Menth-1-en-3-ol
CID 10282
Dehydrodihydroionol
CID 62126
beta-Nootkatol
CID 182645
(+)-cis-Carveol
CID 443177
cis-Piperitol
CID 85567
1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol
CID 66963592
Xanthophyll
CID 5368396

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol?
The IUPAC name of 2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol (CID 14287403) is 2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol.
What is the SMILES notation for 2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol?
The canonical SMILES for 2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol is C=C1C=CC(C(C)CC(O)C=C(C)C)CC1.
What is the InChIKey of 2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol?
The InChIKey is KRPZTCZJBVPGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-16H,3,6,8,10H2,1-2,4H3.
What are the key properties of 2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol?
2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol has a molecular weight of 220.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol is sourced from PubChem (CID 14287403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).