1-(3-propan-2-ylcyclohexylidene)propan-2-ol

C12H22O — CID 107450770

IUPAC1-(3-propan-2-ylcyclohexylidene)propan-2-ol
SMILESCC(O)C=C1CCCC(C(C)C)C1
InChIInChI=1S/C12H22O/c1-9(2)12-6-4-5-11(8-12)7-10(3)13/h7,9-10,12-13H,4-6,8H2,1-3H3
InChIKeyZXPKFXOMUMWMGF-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds2

About 1-(3-propan-2-ylcyclohexylidene)propan-2-ol

1-(3-propan-2-ylcyclohexylidene)propan-2-ol (PubChem CID 107450770) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(3-propan-2-ylcyclohexylidene)propan-2-ol.

Molecular Properties

Compound Name1-(3-propan-2-ylcyclohexylidene)propan-2-ol
PubChem CID107450770
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-(3-propan-2-ylcyclohexylidene)propan-2-ol
SMILESCC(O)C=C1CCCC(C(C)C)C1
InChIInChI=1S/C12H22O/c1-9(2)12-6-4-5-11(8-12)7-10(3)13/h7,9-10,12-13H,4-6,8H2,1-3H3
InChIKeyZXPKFXOMUMWMGF-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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-(3-propan-2-ylcyclohexylidene)propan-2-ol?
The IUPAC name of 1-(3-propan-2-ylcyclohexylidene)propan-2-ol (CID 107450770) is 1-(3-propan-2-ylcyclohexylidene)propan-2-ol.
What is the SMILES notation for 1-(3-propan-2-ylcyclohexylidene)propan-2-ol?
The canonical SMILES for 1-(3-propan-2-ylcyclohexylidene)propan-2-ol is CC(O)C=C1CCCC(C(C)C)C1.
What is the InChIKey of 1-(3-propan-2-ylcyclohexylidene)propan-2-ol?
The InChIKey is ZXPKFXOMUMWMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-9(2)12-6-4-5-11(8-12)7-10(3)13/h7,9-10,12-13H,4-6,8H2,1-3H3.
What are the key properties of 1-(3-propan-2-ylcyclohexylidene)propan-2-ol?
1-(3-propan-2-ylcyclohexylidene)propan-2-ol has a molecular weight of 182.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylcyclohexylidene)propan-2-ol is sourced from PubChem (CID 107450770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).