3-(3,5-dimethylcyclohexyl)cyclohex-2-en-1-ol

C14H24O — CID 65176875

IUPAC3-(3,5-dimethylcyclohexyl)cyclohex-2-en-1-ol
SMILESCC1CC(C)CC(C2=CC(O)CCC2)C1
InChIInChI=1S/C14H24O/c1-10-6-11(2)8-13(7-10)12-4-3-5-14(15)9-12/h9-11,13-15H,3-8H2,1-2H3
InChIKeyLABNMKRXYBFNKM-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.53
Rot. Bonds1

About 3-(3,5-dimethylcyclohexyl)cyclohex-2-en-1-ol

3-(3,5-dimethylcyclohexyl)cyclohex-2-en-1-ol (PubChem CID 65176875) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)cyclohex-2-en-1-ol
PubChem CID65176875
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name3-(3,5-dimethylcyclohexyl)cyclohex-2-en-1-ol
SMILESCC1CC(C)CC(C2=CC(O)CCC2)C1
InChIInChI=1S/C14H24O/c1-10-6-11(2)8-13(7-10)12-4-3-5-14(15)9-12/h9-11,13-15H,3-8H2,1-2H3
InChIKeyLABNMKRXYBFNKM-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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 3-(3,5-dimethylcyclohexyl)cyclohex-2-en-1-ol?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)cyclohex-2-en-1-ol (CID 65176875) is 3-(3,5-dimethylcyclohexyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)cyclohex-2-en-1-ol?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)cyclohex-2-en-1-ol is CC1CC(C)CC(C2=CC(O)CCC2)C1.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)cyclohex-2-en-1-ol?
The InChIKey is LABNMKRXYBFNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-10-6-11(2)8-13(7-10)12-4-3-5-14(15)9-12/h9-11,13-15H,3-8H2,1-2H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)cyclohex-2-en-1-ol?
3-(3,5-dimethylcyclohexyl)cyclohex-2-en-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 65176875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).