4-ethenyl-3-methyl-6-propan-2-ylidenecyclohexen-1-ol

C12H18O — CID 118580563

IUPAC4-ethenyl-3-methyl-6-propan-2-ylidenecyclohexen-1-ol
SMILESC=CC1CC(=C(C)C)C(O)=CC1C
InChIInChI=1S/C12H18O/c1-5-10-7-11(8(2)3)12(13)6-9(10)4/h5-6,9-10,13H,1,7H2,2-4H3
InChIKeyXXJTXFADBWEYCS-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.61
Rot. Bonds1

About 4-ethenyl-3-methyl-6-propan-2-ylidenecyclohexen-1-ol

4-ethenyl-3-methyl-6-propan-2-ylidenecyclohexen-1-ol (PubChem CID 118580563) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 4-ethenyl-3-methyl-6-propan-2-ylidenecyclohexen-1-ol.

Molecular Properties

Compound Name4-ethenyl-3-methyl-6-propan-2-ylidenecyclohexen-1-ol
PubChem CID118580563
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name4-ethenyl-3-methyl-6-propan-2-ylidenecyclohexen-1-ol
SMILESC=CC1CC(=C(C)C)C(O)=CC1C
InChIInChI=1S/C12H18O/c1-5-10-7-11(8(2)3)12(13)6-9(10)4/h5-6,9-10,13H,1,7H2,2-4H3
InChIKeyXXJTXFADBWEYCS-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.61
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 4-ethenyl-3-methyl-6-propan-2-ylidenecyclohexen-1-ol?
The IUPAC name of 4-ethenyl-3-methyl-6-propan-2-ylidenecyclohexen-1-ol (CID 118580563) is 4-ethenyl-3-methyl-6-propan-2-ylidenecyclohexen-1-ol.
What is the SMILES notation for 4-ethenyl-3-methyl-6-propan-2-ylidenecyclohexen-1-ol?
The canonical SMILES for 4-ethenyl-3-methyl-6-propan-2-ylidenecyclohexen-1-ol is C=CC1CC(=C(C)C)C(O)=CC1C.
What is the InChIKey of 4-ethenyl-3-methyl-6-propan-2-ylidenecyclohexen-1-ol?
The InChIKey is XXJTXFADBWEYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-5-10-7-11(8(2)3)12(13)6-9(10)4/h5-6,9-10,13H,1,7H2,2-4H3.
What are the key properties of 4-ethenyl-3-methyl-6-propan-2-ylidenecyclohexen-1-ol?
4-ethenyl-3-methyl-6-propan-2-ylidenecyclohexen-1-ol has a molecular weight of 178.27 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-methyl-6-propan-2-ylidenecyclohexen-1-ol is sourced from PubChem (CID 118580563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).