[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol

C12H22O — CID 89243964

IUPAC[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol
SMILESCC(C)CC1=CCC(C)(CO)CC1
InChIInChI=1S/C12H22O/c1-10(2)8-11-4-6-12(3,9-13)7-5-11/h4,10,13H,5-9H2,1-3H3
InChIKeyYGMDDQUPJDGSNT-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds3

About [1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol

[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol (PubChem CID 89243964) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is [1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol
PubChem CID89243964
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol
SMILESCC(C)CC1=CCC(C)(CO)CC1
InChIInChI=1S/C12H22O/c1-10(2)8-11-4-6-12(3,9-13)7-5-11/h4,10,13H,5-9H2,1-3H3
InChIKeyYGMDDQUPJDGSNT-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.14
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 [1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol?
The IUPAC name of [1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol (CID 89243964) is [1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol is CC(C)CC1=CCC(C)(CO)CC1.
What is the InChIKey of [1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol?
The InChIKey is YGMDDQUPJDGSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10(2)8-11-4-6-12(3,9-13)7-5-11/h4,10,13H,5-9H2,1-3H3.
What are the key properties of [1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol?
[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol has a molecular weight of 182.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 89243964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).