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

C13H24O — CID 66747376

IUPAC1-[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]ethanol
SMILESCC(C)CC1=CCC(C)(C(C)O)CC1
InChIInChI=1S/C13H24O/c1-10(2)9-12-5-7-13(4,8-6-12)11(3)14/h5,10-11,14H,6-9H2,1-4H3
InChIKeyOTGGWAMBFHHMNK-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.53
Rot. Bonds3

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

1-[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]ethanol (PubChem CID 66747376) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]ethanol.

Molecular Properties

Compound Name1-[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]ethanol
PubChem CID66747376
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]ethanol
SMILESCC(C)CC1=CCC(C)(C(C)O)CC1
InChIInChI=1S/C13H24O/c1-10(2)9-12-5-7-13(4,8-6-12)11(3)14/h5,10-11,14H,6-9H2,1-4H3
InChIKeyOTGGWAMBFHHMNK-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.53
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-[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]ethanol?
The IUPAC name of 1-[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]ethanol (CID 66747376) is 1-[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]ethanol.
What is the SMILES notation for 1-[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]ethanol?
The canonical SMILES for 1-[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]ethanol is CC(C)CC1=CCC(C)(C(C)O)CC1.
What is the InChIKey of 1-[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]ethanol?
The InChIKey is OTGGWAMBFHHMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-10(2)9-12-5-7-13(4,8-6-12)11(3)14/h5,10-11,14H,6-9H2,1-4H3.
What are the key properties of 1-[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]ethanol?
1-[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]ethanol has a molecular weight of 196.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]ethanol is sourced from PubChem (CID 66747376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).