2-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid

C11H20O2 — CID 81009340

IUPAC2-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid
SMILESCC(C)(C)CCC1CCC1C(=O)O
InChIInChI=1S/C11H20O2/c1-11(2,3)7-6-8-4-5-9(8)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyGVZHVBMRVZFWPH-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.92
Rot. Bonds3

About 2-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid

2-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid (PubChem CID 81009340) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid
PubChem CID81009340
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid
SMILESCC(C)(C)CCC1CCC1C(=O)O
InChIInChI=1S/C11H20O2/c1-11(2,3)7-6-8-4-5-9(8)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyGVZHVBMRVZFWPH-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 25099817
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4-Methylnonanoic acid
CID 62003
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CID 62089

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid (CID 81009340) is 2-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid is CC(C)(C)CCC1CCC1C(=O)O.
What is the InChIKey of 2-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid?
The InChIKey is GVZHVBMRVZFWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(2,3)7-6-8-4-5-9(8)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid?
2-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid has a molecular weight of 184.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81009340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).