1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol

C17H30O — CID 107429787

IUPAC1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)CC1CCCC(O)(C2=CCCCCC2)C1
InChIInChI=1S/C17H30O/c1-14(2)12-15-8-7-11-17(18,13-15)16-9-5-3-4-6-10-16/h9,14-15,18H,3-8,10-13H2,1-2H3
InChIKeyFYKXHIHVKSMBTN-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.84
Rot. Bonds3

About 1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol

1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 107429787) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol
PubChem CID107429787
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)CC1CCCC(O)(C2=CCCCCC2)C1
InChIInChI=1S/C17H30O/c1-14(2)12-15-8-7-11-17(18,13-15)16-9-5-3-4-6-10-16/h9,14-15,18H,3-8,10-13H2,1-2H3
InChIKeyFYKXHIHVKSMBTN-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.84
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

3-amino-1-(cycloocten-1-yl)cyclohexan-1-ol
CID 106651371
3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol
CID 106651372
1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol
CID 106651210
1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 106651160
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429754
1-(cyclohexen-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 106651138
1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429867
1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429613
1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429597
1-(3-methoxypyrazin-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429636
4-(cycloocten-1-yl)-2-propyloxan-4-ol
CID 106651119
4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one
CID 106651235

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol (CID 107429787) is 1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol is CC(C)CC1CCCC(O)(C2=CCCCCC2)C1.
What is the InChIKey of 1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is FYKXHIHVKSMBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-14(2)12-15-8-7-11-17(18,13-15)16-9-5-3-4-6-10-16/h9,14-15,18H,3-8,10-13H2,1-2H3.
What are the key properties of 1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 250.43 g/mol, XLogP of 4.84, 3 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-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 107429787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).