2,2-dicyclopropylbutanoic acid

C10H16O2 — CID 139618787

IUPAC2,2-dicyclopropylbutanoic acid
SMILESCCC(C(=O)O)(C1CC1)C1CC1
InChIInChI=1S/C10H16O2/c1-2-10(9(11)12,7-3-4-7)8-5-6-8/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyXYOFQOWIHWKWIU-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds4

About 2,2-dicyclopropylbutanoic acid

2,2-dicyclopropylbutanoic acid (PubChem CID 139618787) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,2-dicyclopropylbutanoic acid.

Molecular Properties

Compound Name2,2-dicyclopropylbutanoic acid
PubChem CID139618787
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,2-dicyclopropylbutanoic acid
SMILESCCC(C(=O)O)(C1CC1)C1CC1
InChIInChI=1S/C10H16O2/c1-2-10(9(11)12,7-3-4-7)8-5-6-8/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyXYOFQOWIHWKWIU-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-2-cyclobutyl-2-cyclopropylpropanoic acid
CID 106489641
3,5-dicyclohexyl-3,5-bis(4-propanoylcyclohexyl)heptan-4-one
CID 70444591
2-cyclohexyl-2-sulfanylbutanoic acid
CID 174351783
2-ethyl-2-(4-ethylcyclohexyl)butanoic acid
CID 79426228
2-(4-ethylcyclohexyl)-2-methylpropanoic acid
CID 79425343
2-hydroxy-2-(4-propylcyclohexyl)butanoic acid
CID 79304063
2-cyclopropyl-2-[methyl(propyl)amino]propanoic acid
CID 114988948
4-(3-methylpentan-3-yl)cyclohexane-1-carboxylic acid
CID 66821857
4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 13150786
magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride
CID 174968712
2-cyclopropyl-3-hydroxy-2-methylpropanoic acid
CID 126974927
2-(azepan-1-yl)-2-cyclopropylbutanoic acid
CID 64919136

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclopropylbutanoic acid?
The IUPAC name of 2,2-dicyclopropylbutanoic acid (CID 139618787) is 2,2-dicyclopropylbutanoic acid.
What is the SMILES notation for 2,2-dicyclopropylbutanoic acid?
The canonical SMILES for 2,2-dicyclopropylbutanoic acid is CCC(C(=O)O)(C1CC1)C1CC1.
What is the InChIKey of 2,2-dicyclopropylbutanoic acid?
The InChIKey is XYOFQOWIHWKWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-10(9(11)12,7-3-4-7)8-5-6-8/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of 2,2-dicyclopropylbutanoic acid?
2,2-dicyclopropylbutanoic acid has a molecular weight of 168.24 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclopropylbutanoic acid is sourced from PubChem (CID 139618787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).