3-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol

C16H28O — CID 65177314

IUPAC3-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1CCC(C2=CC(O)CC(C)(C)C2)CC1C
InChIInChI=1S/C16H28O/c1-11-5-6-13(7-12(11)2)14-8-15(17)10-16(3,4)9-14/h8,11-13,15,17H,5-7,9-10H2,1-4H3
InChIKeyMREUPSFAHJOLEX-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.17
Rot. Bonds1

About 3-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol

3-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol (PubChem CID 65177314) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol
PubChem CID65177314
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name3-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1CCC(C2=CC(O)CC(C)(C)C2)CC1C
InChIInChI=1S/C16H28O/c1-11-5-6-13(7-12(11)2)14-8-15(17)10-16(3,4)9-14/h8,11-13,15,17H,5-7,9-10H2,1-4H3
InChIKeyMREUPSFAHJOLEX-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.17
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-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol (CID 65177314) is 3-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol is CC1CCC(C2=CC(O)CC(C)(C)C2)CC1C.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol?
The InChIKey is MREUPSFAHJOLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-11-5-6-13(7-12(11)2)14-8-15(17)10-16(3,4)9-14/h8,11-13,15,17H,5-7,9-10H2,1-4H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol?
3-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol has a molecular weight of 236.40 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 65177314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).