2-methyl-1-(1-methylcyclohex-2-en-1-yl)prop-1-en-1-ol

C11H18O — CID 69023302

IUPAC2-methyl-1-(1-methylcyclohex-2-en-1-yl)prop-1-en-1-ol
SMILESCC(C)=C(O)C1(C)C=CCCC1
InChIInChI=1S/C11H18O/c1-9(2)10(12)11(3)7-5-4-6-8-11/h5,7,12H,4,6,8H2,1-3H3
InChIKeyJRTATCRWLKAXJU-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.58
Rot. Bonds1

About 2-methyl-1-(1-methylcyclohex-2-en-1-yl)prop-1-en-1-ol

2-methyl-1-(1-methylcyclohex-2-en-1-yl)prop-1-en-1-ol (PubChem CID 69023302) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-methyl-1-(1-methylcyclohex-2-en-1-yl)prop-1-en-1-ol.

Molecular Properties

Compound Name2-methyl-1-(1-methylcyclohex-2-en-1-yl)prop-1-en-1-ol
PubChem CID69023302
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-methyl-1-(1-methylcyclohex-2-en-1-yl)prop-1-en-1-ol
SMILESCC(C)=C(O)C1(C)C=CCCC1
InChIInChI=1S/C11H18O/c1-9(2)10(12)11(3)7-5-4-6-8-11/h5,7,12H,4,6,8H2,1-3H3
InChIKeyJRTATCRWLKAXJU-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylcyclohex-2-en-1-yl)prop-1-en-1-ol?
The IUPAC name of 2-methyl-1-(1-methylcyclohex-2-en-1-yl)prop-1-en-1-ol (CID 69023302) is 2-methyl-1-(1-methylcyclohex-2-en-1-yl)prop-1-en-1-ol.
What is the SMILES notation for 2-methyl-1-(1-methylcyclohex-2-en-1-yl)prop-1-en-1-ol?
The canonical SMILES for 2-methyl-1-(1-methylcyclohex-2-en-1-yl)prop-1-en-1-ol is CC(C)=C(O)C1(C)C=CCCC1.
What is the InChIKey of 2-methyl-1-(1-methylcyclohex-2-en-1-yl)prop-1-en-1-ol?
The InChIKey is JRTATCRWLKAXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-9(2)10(12)11(3)7-5-4-6-8-11/h5,7,12H,4,6,8H2,1-3H3.
What are the key properties of 2-methyl-1-(1-methylcyclohex-2-en-1-yl)prop-1-en-1-ol?
2-methyl-1-(1-methylcyclohex-2-en-1-yl)prop-1-en-1-ol has a molecular weight of 166.26 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylcyclohex-2-en-1-yl)prop-1-en-1-ol is sourced from PubChem (CID 69023302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).