4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol

C15H26O — CID 27208

IUPAC4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol
SMILESCC(C)=CCCC(C)C1(O)CC=C(C)CC1
InChIInChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3
InChIKeyWTVHAMTYZJGJLJ-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.23
Rot. Bonds4

About 4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol

4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol (PubChem CID 27208) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol
PubChem CID27208
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol
SMILESCC(C)=CCCC(C)C1(O)CC=C(C)CC1
InChIInChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3
InChIKeyWTVHAMTYZJGJLJ-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.23
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

(L)-alpha-terpineol
CID 443162
Alpha-Terpineol
CID 17100
Terpinen-4-ol
CID 11230
Bisabolol
CID 1549992
Levomenol
CID 442343
(+)-alpha-Terpineol
CID 442501
p-Menth-3-en-1-ol
CID 11468
alpha-Bisabolol, (+)-epi-
CID 1201551
beta-Bisabolol
CID 12300146
alpha,4-Dimethyl-alpha-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol
CID 10586
alpha-Bisabolol, (-)-epi-
CID 1616126
2,4,8-Trimethyl-7-nonen-2-ol
CID 14614417

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol?
The IUPAC name of 4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol (CID 27208) is 4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol.
What is the SMILES notation for 4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol?
The canonical SMILES for 4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol is CC(C)=CCCC(C)C1(O)CC=C(C)CC1.
What is the InChIKey of 4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol?
The InChIKey is WTVHAMTYZJGJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3.
What are the key properties of 4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol?
4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol is sourced from PubChem (CID 27208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).