1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol

C15H26O — CID 106651160

IUPAC1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(C2=CCCCCC2)C1
InChIInChI=1S/C15H26O/c1-12-9-13(2)11-15(16,10-12)14-7-5-3-4-6-8-14/h7,12-13,16H,3-6,8-11H2,1-2H3
InChIKeyOJMRBXKGYWCNQW-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.06
Rot. Bonds1

About 1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol

1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol (PubChem CID 106651160) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol
PubChem CID106651160
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(C2=CCCCCC2)C1
InChIInChI=1S/C15H26O/c1-12-9-13(2)11-15(16,10-12)14-7-5-3-4-6-8-14/h7,12-13,16H,3-6,8-11H2,1-2H3
InChIKeyOJMRBXKGYWCNQW-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.06
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

1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429787
4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one
CID 106651235
1-(cyclohexen-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 106651138
3-amino-1-(cycloocten-1-yl)cyclohexan-1-ol
CID 106651371
3-(cyclohepten-1-yl)-1-methylpyrrolidin-3-ol
CID 106650886
3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol
CID 106651372
1-(cycloocten-1-yl)-2-methylcyclohexan-1-ol
CID 106650767
1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663962
3-(cyclohepten-1-yl)-5,5-dimethylthian-3-ol
CID 106651318
4-(cycloocten-1-yl)-2-propyloxan-4-ol
CID 106651119
3-(cycloocten-1-yl)piperidin-3-ol
CID 106650906
1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol
CID 106651210

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol (CID 106651160) is 1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol is CC1CC(C)CC(O)(C2=CCCCCC2)C1.
What is the InChIKey of 1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol?
The InChIKey is OJMRBXKGYWCNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-12-9-13(2)11-15(16,10-12)14-7-5-3-4-6-8-14/h7,12-13,16H,3-6,8-11H2,1-2H3.
What are the key properties of 1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol?
1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 106651160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).