2-(2-benzyl-3-methylbutyl)cyclopentan-1-ol

C17H26O — CID 57078644

IUPAC2-(2-benzyl-3-methylbutyl)cyclopentan-1-ol
SMILESCC(C)C(Cc1ccccc1)CC1CCCC1O
InChIInChI=1S/C17H26O/c1-13(2)16(11-14-7-4-3-5-8-14)12-15-9-6-10-17(15)18/h3-5,7-8,13,15-18H,6,9-12H2,1-2H3
InChIKeyIDYHXXRKMKTYNH-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.05
Rot. Bonds5

About 2-(2-benzyl-3-methylbutyl)cyclopentan-1-ol

2-(2-benzyl-3-methylbutyl)cyclopentan-1-ol (PubChem CID 57078644) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-(2-benzyl-3-methylbutyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(2-benzyl-3-methylbutyl)cyclopentan-1-ol
PubChem CID57078644
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-(2-benzyl-3-methylbutyl)cyclopentan-1-ol
SMILESCC(C)C(Cc1ccccc1)CC1CCCC1O
InChIInChI=1S/C17H26O/c1-13(2)16(11-14-7-4-3-5-8-14)12-15-9-6-10-17(15)18/h3-5,7-8,13,15-18H,6,9-12H2,1-2H3
InChIKeyIDYHXXRKMKTYNH-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-3-methylbutyl)cyclopentan-1-ol?
The IUPAC name of 2-(2-benzyl-3-methylbutyl)cyclopentan-1-ol (CID 57078644) is 2-(2-benzyl-3-methylbutyl)cyclopentan-1-ol.
What is the SMILES notation for 2-(2-benzyl-3-methylbutyl)cyclopentan-1-ol?
The canonical SMILES for 2-(2-benzyl-3-methylbutyl)cyclopentan-1-ol is CC(C)C(Cc1ccccc1)CC1CCCC1O.
What is the InChIKey of 2-(2-benzyl-3-methylbutyl)cyclopentan-1-ol?
The InChIKey is IDYHXXRKMKTYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-13(2)16(11-14-7-4-3-5-8-14)12-15-9-6-10-17(15)18/h3-5,7-8,13,15-18H,6,9-12H2,1-2H3.
What are the key properties of 2-(2-benzyl-3-methylbutyl)cyclopentan-1-ol?
2-(2-benzyl-3-methylbutyl)cyclopentan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-3-methylbutyl)cyclopentan-1-ol is sourced from PubChem (CID 57078644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).