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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Related Compounds

5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol
CID 65177148
3-(cyclopentylmethyl)-5,5-dimethylcyclohex-2-en-1-ol
CID 65177206
4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-1(11)-en-10-ol
CID 14286031
3-(3-hydroxypropyl)-5,5-dimethylcyclohex-2-en-1-ol
CID 130131017
3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol
CID 65176869
4-(3,4-dimethylcyclohexyl)cyclohex-3-en-1-one
CID 83262378
3-(2,4-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-ol
CID 65176982
3-decyl-5,5-dimethylcyclohex-2-en-1-ol
CID 65177036
5,5-dimethyl-3-(2-propan-2-ylsulfonylethyl)cyclohex-2-en-1-ol
CID 106732475
1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 64743500
3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
CID 65176868
3-(2-amino-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol
CID 65174307

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).