2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol

C15H26O — CID 71323597

IUPAC2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol
SMILESCC(C)=CCCC1=CCCC(C)(CCO)C1
InChIInChI=1S/C15H26O/c1-13(2)6-4-7-14-8-5-9-15(3,12-14)10-11-16/h6,8,16H,4-5,7,9-12H2,1-3H3
InChIKeyYKUIBLUQXBFWHY-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.23
Rot. Bonds5

About 2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol

2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol (PubChem CID 71323597) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol.

Molecular Properties

Compound Name2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol
PubChem CID71323597
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol
SMILESCC(C)=CCCC1=CCCC(C)(CCO)C1
InChIInChI=1S/C15H26O/c1-13(2)6-4-7-14-8-5-9-15(3,12-14)10-11-16/h6,8,16H,4-5,7,9-12H2,1-3H3
InChIKeyYKUIBLUQXBFWHY-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol?
The IUPAC name of 2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol (CID 71323597) is 2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol.
What is the SMILES notation for 2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol?
The canonical SMILES for 2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol is CC(C)=CCCC1=CCCC(C)(CCO)C1.
What is the InChIKey of 2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol?
The InChIKey is YKUIBLUQXBFWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-13(2)6-4-7-14-8-5-9-15(3,12-14)10-11-16/h6,8,16H,4-5,7,9-12H2,1-3H3.
What are the key properties of 2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol?
2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol has a molecular weight of 222.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol is sourced from PubChem (CID 71323597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).