2-(3,3-dimethylbutyl)-3,5-dimethylcyclopentan-1-ol

C13H26O — CID 53439747

IUPAC2-(3,3-dimethylbutyl)-3,5-dimethylcyclopentan-1-ol
SMILESCC1CC(C)C(CCC(C)(C)C)C1O
InChIInChI=1S/C13H26O/c1-9-8-10(2)12(14)11(9)6-7-13(3,4)5/h9-12,14H,6-8H2,1-5H3
InChIKeyAGILOKCHPLVJRF-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.47
Rot. Bonds2

About 2-(3,3-dimethylbutyl)-3,5-dimethylcyclopentan-1-ol

2-(3,3-dimethylbutyl)-3,5-dimethylcyclopentan-1-ol (PubChem CID 53439747) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-3,5-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-3,5-dimethylcyclopentan-1-ol
PubChem CID53439747
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2-(3,3-dimethylbutyl)-3,5-dimethylcyclopentan-1-ol
SMILESCC1CC(C)C(CCC(C)(C)C)C1O
InChIInChI=1S/C13H26O/c1-9-8-10(2)12(14)11(9)6-7-13(3,4)5/h9-12,14H,6-8H2,1-5H3
InChIKeyAGILOKCHPLVJRF-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-3,5-dimethylcyclopentan-1-ol?
The IUPAC name of 2-(3,3-dimethylbutyl)-3,5-dimethylcyclopentan-1-ol (CID 53439747) is 2-(3,3-dimethylbutyl)-3,5-dimethylcyclopentan-1-ol.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-3,5-dimethylcyclopentan-1-ol?
The canonical SMILES for 2-(3,3-dimethylbutyl)-3,5-dimethylcyclopentan-1-ol is CC1CC(C)C(CCC(C)(C)C)C1O.
What is the InChIKey of 2-(3,3-dimethylbutyl)-3,5-dimethylcyclopentan-1-ol?
The InChIKey is AGILOKCHPLVJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-9-8-10(2)12(14)11(9)6-7-13(3,4)5/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutyl)-3,5-dimethylcyclopentan-1-ol?
2-(3,3-dimethylbutyl)-3,5-dimethylcyclopentan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-3,5-dimethylcyclopentan-1-ol is sourced from PubChem (CID 53439747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).