1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol

C14H24O — CID 106663962

IUPAC1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)C1=CCCCC1
InChIInChI=1S/C14H24O/c1-11-9-13(2,3)10-14(11,15)12-7-5-4-6-8-12/h7,11,15H,4-6,8-10H2,1-3H3
InChIKeyCDFBEPLYYQNZFQ-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.67
Rot. Bonds1

About 1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol

1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol (PubChem CID 106663962) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol
PubChem CID106663962
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)C1=CCCCC1
InChIInChI=1S/C14H24O/c1-11-9-13(2,3)10-14(11,15)12-7-5-4-6-8-12/h7,11,15H,4-6,8-10H2,1-3H3
InChIKeyCDFBEPLYYQNZFQ-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.67
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-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol (CID 106663962) is 1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol is CC1CC(C)(C)CC1(O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol?
The InChIKey is CDFBEPLYYQNZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11-9-13(2,3)10-14(11,15)12-7-5-4-6-8-12/h7,11,15H,4-6,8-10H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol?
1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol is sourced from PubChem (CID 106663962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).