1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid

C12H20O4 — CID 70920488

IUPAC1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid
SMILESCC(C)(C)CC1(C(=O)O)C(C(=O)O)C1(C)C
InChIInChI=1S/C12H20O4/c1-10(2,3)6-12(9(15)16)7(8(13)14)11(12,4)5/h7H,6H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyXVSNWLIFDQTNEA-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.23
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid

1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid (PubChem CID 70920488) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid
PubChem CID70920488
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid
SMILESCC(C)(C)CC1(C(=O)O)C(C(=O)O)C1(C)C
InChIInChI=1S/C12H20O4/c1-10(2,3)6-12(9(15)16)7(8(13)14)11(12,4)5/h7H,6H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyXVSNWLIFDQTNEA-UHFFFAOYSA-N
XLogP2.23
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid
CID 57304145
2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 88725151
1-(2,2-dimethylpropyl)-4-fluoro-2,2-dimethyl-N,N-di(propan-2-yl)cyclobutane-1-carboxamide
CID 89469081
1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
CID 91065201
1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid
CID 142601138
2-bromo-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane-1-carboxylic acid
CID 57041457
3-(4-tert-butylphenyl)-1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid
CID 57065472
2,2-dimethylspiro[2.4]heptane-1-carboxylic acid
CID 20531773
2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 57273310
2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid
CID 20533205
2,2-bis(2-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid
CID 57296782
1-chloro-3-(2,2-dichloropropyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 57155579

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid?
The IUPAC name of 1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid (CID 70920488) is 1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid is CC(C)(C)CC1(C(=O)O)C(C(=O)O)C1(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid?
The InChIKey is XVSNWLIFDQTNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-10(2,3)6-12(9(15)16)7(8(13)14)11(12,4)5/h7H,6H2,1-5H3,(H,13,14)(H,15,16).
What are the key properties of 1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid?
1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 70920488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).