2-(4-methylcyclohex-3-en-1-yl)-1-(2-methyl-5-propan-2-ylidenecyclohexen-1-yl)propan-2-ol

C20H32O — CID 175901783

IUPAC2-(4-methylcyclohex-3-en-1-yl)-1-(2-methyl-5-propan-2-ylidenecyclohexen-1-yl)propan-2-ol
SMILESCC1=CCC(C(C)(O)CC2=C(C)CCC(=C(C)C)C2)CC1
InChIInChI=1S/C20H32O/c1-14(2)17-9-8-16(4)18(12-17)13-20(5,21)19-10-6-15(3)7-11-19/h6,19,21H,7-13H2,1-5H3
InChIKeyUKJTZHXLUWDPAR-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.71
Rot. Bonds3

About 2-(4-methylcyclohex-3-en-1-yl)-1-(2-methyl-5-propan-2-ylidenecyclohexen-1-yl)propan-2-ol

2-(4-methylcyclohex-3-en-1-yl)-1-(2-methyl-5-propan-2-ylidenecyclohexen-1-yl)propan-2-ol (PubChem CID 175901783) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(4-methylcyclohex-3-en-1-yl)-1-(2-methyl-5-propan-2-ylidenecyclohexen-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-methylcyclohex-3-en-1-yl)-1-(2-methyl-5-propan-2-ylidenecyclohexen-1-yl)propan-2-ol
PubChem CID175901783
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name2-(4-methylcyclohex-3-en-1-yl)-1-(2-methyl-5-propan-2-ylidenecyclohexen-1-yl)propan-2-ol
SMILESCC1=CCC(C(C)(O)CC2=C(C)CCC(=C(C)C)C2)CC1
InChIInChI=1S/C20H32O/c1-14(2)17-9-8-16(4)18(12-17)13-20(5,21)19-10-6-15(3)7-11-19/h6,19,21H,7-13H2,1-5H3
InChIKeyUKJTZHXLUWDPAR-UHFFFAOYSA-N
XLogP5.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.71
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 2-(4-methylcyclohex-3-en-1-yl)-1-(2-methyl-5-propan-2-ylidenecyclohexen-1-yl)propan-2-ol?
The IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)-1-(2-methyl-5-propan-2-ylidenecyclohexen-1-yl)propan-2-ol (CID 175901783) is 2-(4-methylcyclohex-3-en-1-yl)-1-(2-methyl-5-propan-2-ylidenecyclohexen-1-yl)propan-2-ol.
What is the SMILES notation for 2-(4-methylcyclohex-3-en-1-yl)-1-(2-methyl-5-propan-2-ylidenecyclohexen-1-yl)propan-2-ol?
The canonical SMILES for 2-(4-methylcyclohex-3-en-1-yl)-1-(2-methyl-5-propan-2-ylidenecyclohexen-1-yl)propan-2-ol is CC1=CCC(C(C)(O)CC2=C(C)CCC(=C(C)C)C2)CC1.
What is the InChIKey of 2-(4-methylcyclohex-3-en-1-yl)-1-(2-methyl-5-propan-2-ylidenecyclohexen-1-yl)propan-2-ol?
The InChIKey is UKJTZHXLUWDPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-14(2)17-9-8-16(4)18(12-17)13-20(5,21)19-10-6-15(3)7-11-19/h6,19,21H,7-13H2,1-5H3.
What are the key properties of 2-(4-methylcyclohex-3-en-1-yl)-1-(2-methyl-5-propan-2-ylidenecyclohexen-1-yl)propan-2-ol?
2-(4-methylcyclohex-3-en-1-yl)-1-(2-methyl-5-propan-2-ylidenecyclohexen-1-yl)propan-2-ol has a molecular weight of 288.48 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohex-3-en-1-yl)-1-(2-methyl-5-propan-2-ylidenecyclohexen-1-yl)propan-2-ol is sourced from PubChem (CID 175901783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).