6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-ol

C15H26O — CID 22414258

IUPAC6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-ol
SMILESC=C(C)CCC(O)C(C)C1CC=C(C)CC1
InChIInChI=1S/C15H26O/c1-11(2)5-10-15(16)13(4)14-8-6-12(3)7-9-14/h6,13-16H,1,5,7-10H2,2-4H3
InChIKeyNEUWLDNEWAJWEN-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.09
Rot. Bonds5

About 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-ol

6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-ol (PubChem CID 22414258) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-ol.

Molecular Properties

Compound Name6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-ol
PubChem CID22414258
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-ol
SMILESC=C(C)CCC(O)C(C)C1CC=C(C)CC1
InChIInChI=1S/C15H26O/c1-11(2)5-10-15(16)13(4)14-8-6-12(3)7-9-14/h6,13-16H,1,5,7-10H2,2-4H3
InChIKeyNEUWLDNEWAJWEN-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-ol?
The IUPAC name of 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-ol (CID 22414258) is 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-ol.
What is the SMILES notation for 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-ol?
The canonical SMILES for 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-ol is C=C(C)CCC(O)C(C)C1CC=C(C)CC1.
What is the InChIKey of 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-ol?
The InChIKey is NEUWLDNEWAJWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11(2)5-10-15(16)13(4)14-8-6-12(3)7-9-14/h6,13-16H,1,5,7-10H2,2-4H3.
What are the key properties of 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-ol?
6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-ol has a molecular weight of 222.37 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-ol is sourced from PubChem (CID 22414258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).