1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol

C17H30O — CID 106651210

IUPAC1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(C2=CCCCCC2)CC1
InChIInChI=1S/C17H30O/c1-2-8-15-9-7-13-17(18,14-12-15)16-10-5-3-4-6-11-16/h10,15,18H,2-9,11-14H2,1H3
InChIKeyIDRBXCUQWNHOGW-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.99
Rot. Bonds3

About 1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol

1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol (PubChem CID 106651210) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol
PubChem CID106651210
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(C2=CCCCCC2)CC1
InChIInChI=1S/C17H30O/c1-2-8-15-9-7-13-17(18,14-12-15)16-10-5-3-4-6-11-16/h10,15,18H,2-9,11-14H2,1H3
InChIKeyIDRBXCUQWNHOGW-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
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
3-amino-1-(cycloocten-1-yl)cyclohexan-1-ol
CID 106651371
4-(cycloocten-1-yl)-1-propylazepan-4-ol
CID 106651193
4-(cycloocten-1-yl)-2-propyloxan-4-ol
CID 106651119
1-(cyclohexen-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 106651138
1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 106651160
1-(cyclohexen-1-yl)-3-propylbicyclo[2.2.0]hexane
CID 163848568
1,1-dimethyl-4-propylcyclotridecane
CID 123608299
2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid
CID 107432327
3-(cycloocten-1-yl)piperidin-3-ol
CID 106650906
3-(cyclohepten-1-yl)-1-methylpyrrolidin-3-ol
CID 106650886
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol?
The IUPAC name of 1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol (CID 106651210) is 1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol.
What is the SMILES notation for 1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol?
The canonical SMILES for 1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol is CCCC1CCCC(O)(C2=CCCCCC2)CC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol?
The InChIKey is IDRBXCUQWNHOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-2-8-15-9-7-13-17(18,14-12-15)16-10-5-3-4-6-11-16/h10,15,18H,2-9,11-14H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol?
1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol has a molecular weight of 250.43 g/mol, XLogP of 4.99, 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)-4-propylcycloheptan-1-ol is sourced from PubChem (CID 106651210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).