1-ethyl-5-methyl-2-propan-2-ylidenecyclohexan-1-ol

C12H22O — CID 131850132

IUPAC1-ethyl-5-methyl-2-propan-2-ylidenecyclohexan-1-ol
SMILESCCC1(O)CC(C)CCC1=C(C)C
InChIInChI=1S/C12H22O/c1-5-12(13)8-10(4)6-7-11(12)9(2)3/h10,13H,5-8H2,1-4H3
InChIKeyINEKEABHSQTRQE-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.28
Rot. Bonds1

About 1-ethyl-5-methyl-2-propan-2-ylidenecyclohexan-1-ol

1-ethyl-5-methyl-2-propan-2-ylidenecyclohexan-1-ol (PubChem CID 131850132) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-ethyl-5-methyl-2-propan-2-ylidenecyclohexan-1-ol.

Molecular Properties

Compound Name1-ethyl-5-methyl-2-propan-2-ylidenecyclohexan-1-ol
PubChem CID131850132
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-ethyl-5-methyl-2-propan-2-ylidenecyclohexan-1-ol
SMILESCCC1(O)CC(C)CCC1=C(C)C
InChIInChI=1S/C12H22O/c1-5-12(13)8-10(4)6-7-11(12)9(2)3/h10,13H,5-8H2,1-4H3
InChIKeyINEKEABHSQTRQE-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-[(4R)-4-methylcyclohexen-1-yl]propan-2-ol
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3-Methyl-1-(2-methylpropyl)cyclohex-2-en-1-ol
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(1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-2-propan-2-ylidenecyclohexan-1-ol?
The IUPAC name of 1-ethyl-5-methyl-2-propan-2-ylidenecyclohexan-1-ol (CID 131850132) is 1-ethyl-5-methyl-2-propan-2-ylidenecyclohexan-1-ol.
What is the SMILES notation for 1-ethyl-5-methyl-2-propan-2-ylidenecyclohexan-1-ol?
The canonical SMILES for 1-ethyl-5-methyl-2-propan-2-ylidenecyclohexan-1-ol is CCC1(O)CC(C)CCC1=C(C)C.
What is the InChIKey of 1-ethyl-5-methyl-2-propan-2-ylidenecyclohexan-1-ol?
The InChIKey is INEKEABHSQTRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-12(13)8-10(4)6-7-11(12)9(2)3/h10,13H,5-8H2,1-4H3.
What are the key properties of 1-ethyl-5-methyl-2-propan-2-ylidenecyclohexan-1-ol?
1-ethyl-5-methyl-2-propan-2-ylidenecyclohexan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-2-propan-2-ylidenecyclohexan-1-ol is sourced from PubChem (CID 131850132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).