1-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-1-ol

C12H20O — CID 20561539

IUPAC1-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-1-ol
SMILESC=CCC(O)C1CC=C(C)CC1C
InChIInChI=1S/C12H20O/c1-4-5-12(13)11-7-6-9(2)8-10(11)3/h4,6,10-13H,1,5,7-8H2,2-3H3
InChIKeyVFWGQSZDFUOMQP-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.92
Rot. Bonds3

About 1-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-1-ol

1-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-1-ol (PubChem CID 20561539) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-1-ol.

Molecular Properties

Compound Name1-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-1-ol
PubChem CID20561539
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-1-ol
SMILESC=CCC(O)C1CC=C(C)CC1C
InChIInChI=1S/C12H20O/c1-4-5-12(13)11-7-6-9(2)8-10(11)3/h4,6,10-13H,1,5,7-8H2,2-3H3
InChIKeyVFWGQSZDFUOMQP-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.92
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-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-1-ol?
The IUPAC name of 1-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-1-ol (CID 20561539) is 1-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-1-ol.
What is the SMILES notation for 1-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-1-ol?
The canonical SMILES for 1-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-1-ol is C=CCC(O)C1CC=C(C)CC1C.
What is the InChIKey of 1-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-1-ol?
The InChIKey is VFWGQSZDFUOMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-4-5-12(13)11-7-6-9(2)8-10(11)3/h4,6,10-13H,1,5,7-8H2,2-3H3.
What are the key properties of 1-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-1-ol?
1-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-1-ol has a molecular weight of 180.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-1-ol is sourced from PubChem (CID 20561539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).