2-cyclobutyl-1-(cyclohepten-1-yl)ethanol

C13H22O — CID 103165442

IUPAC2-cyclobutyl-1-(cyclohepten-1-yl)ethanol
SMILESOC(CC1CCC1)C1=CCCCCC1
InChIInChI=1S/C13H22O/c14-13(10-11-6-5-7-11)12-8-3-1-2-4-9-12/h8,11,13-14H,1-7,9-10H2
InChIKeyDXKNDZILUUMHQK-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.43
Rot. Bonds3

About 2-cyclobutyl-1-(cyclohepten-1-yl)ethanol

2-cyclobutyl-1-(cyclohepten-1-yl)ethanol (PubChem CID 103165442) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-cyclobutyl-1-(cyclohepten-1-yl)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(cyclohepten-1-yl)ethanol
PubChem CID103165442
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-cyclobutyl-1-(cyclohepten-1-yl)ethanol
SMILESOC(CC1CCC1)C1=CCCCCC1
InChIInChI=1S/C13H22O/c14-13(10-11-6-5-7-11)12-8-3-1-2-4-9-12/h8,11,13-14H,1-7,9-10H2
InChIKeyDXKNDZILUUMHQK-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.43
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

2-cyclobutyl-1-(cycloocten-1-yl)ethanol
CID 106657591
1-(cycloocten-1-yl)-2-cyclopropylethanol
CID 106657572
cycloocten-1-yl(cyclopropyl)methanol
CID 106651053
[1-(cyclohepten-1-yl)-2-cycloheptylethyl]hydrazine
CID 106650401
cyclohepten-1-yl(cyclopentyl)methanol
CID 62078752
1-(cycloocten-1-yl)-2-(oxolan-2-yl)ethanol
CID 106657616
1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
6-bicyclo[3.1.0]hexanyl(cycloocten-1-yl)methanol
CID 106657681
1-(cyclohexen-1-yl)-2-methylsulfanylethanol
CID 106657946
cyclohexen-1-ylmethanediol
CID 21392290
1-(cycloocten-1-yl)-4-ethoxybutan-1-ol
CID 106657695
cyclohepten-1-yl-(2-methylcyclopentyl)methanol
CID 107181713

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(cyclohepten-1-yl)ethanol?
The IUPAC name of 2-cyclobutyl-1-(cyclohepten-1-yl)ethanol (CID 103165442) is 2-cyclobutyl-1-(cyclohepten-1-yl)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(cyclohepten-1-yl)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(cyclohepten-1-yl)ethanol is OC(CC1CCC1)C1=CCCCCC1.
What is the InChIKey of 2-cyclobutyl-1-(cyclohepten-1-yl)ethanol?
The InChIKey is DXKNDZILUUMHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c14-13(10-11-6-5-7-11)12-8-3-1-2-4-9-12/h8,11,13-14H,1-7,9-10H2.
What are the key properties of 2-cyclobutyl-1-(cyclohepten-1-yl)ethanol?
2-cyclobutyl-1-(cyclohepten-1-yl)ethanol has a molecular weight of 194.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(cyclohepten-1-yl)ethanol is sourced from PubChem (CID 103165442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).