benzene;2,2-dimethylcyclopropane-1-carboxylic acid

C12H16O2 — CID 144977859

IUPACbenzene;2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)CC1C(=O)O.c1ccccc1
InChIInChI=1S/C6H10O2.C6H6/c1-6(2)3-4(6)5(7)8;1-2-4-6-5-3-1/h4H,3H2,1-2H3,(H,7,8);1-6H
InChIKeyWOMJTWQPTRBNLC-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.80
Rot. Bonds1

About benzene;2,2-dimethylcyclopropane-1-carboxylic acid

benzene;2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 144977859) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is benzene;2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namebenzene;2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID144977859
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Namebenzene;2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)CC1C(=O)O.c1ccccc1
InChIInChI=1S/C6H10O2.C6H6/c1-6(2)3-4(6)5(7)8;1-2-4-6-5-3-1/h4H,3H2,1-2H3,(H,7,8);1-6H
InChIKeyWOMJTWQPTRBNLC-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze benzene;2,2-dimethylcyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Benzyl-3,3-dimethylbutanoic acid
CID 184254
rac-(1R,3R)-2,2-dimethyl-3-phenylcyclopropane-1-carboxylic acid
CID 57652821
rac-(1R,2S)-1-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 90197336
rac-(1R,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252589
4-Methyl-5-phenylpent-4-enoic acid
CID 5476564
Rac-(1S,2R)-1-ethyl-2-phenylcyclopropanecarboxylic acid
CID 90197759
3,6-Dimethyl-3-phenylheptanoic acid
CID 59083
2-Methyl-2-phenylcyclopropane-1-carboxylic acid
CID 24015524
2,2,3-Trimethyl-3-phenylcyclopropane-1-carboxylic acid
CID 127018607
(E)-6-[4-[(E)-5-carboxy-4,4-dimethylpent-1-enyl]phenyl]-3,3-dimethylhex-5-enoic acid
CID 14614351
(Z)-6-[4-[(Z)-5-carboxy-4,4-dimethylpent-1-enyl]phenyl]-3,3-dimethylhex-5-enoic acid
CID 14614352
(Z)-6-[4-[(E)-5-carboxy-4,4-dimethylpent-1-enyl]phenyl]-3,3-dimethylhex-5-enoic acid
CID 14614353

Frequently Asked Questions

What is the IUPAC name of benzene;2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of benzene;2,2-dimethylcyclopropane-1-carboxylic acid (CID 144977859) is benzene;2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for benzene;2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for benzene;2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)CC1C(=O)O.c1ccccc1.
What is the InChIKey of benzene;2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is WOMJTWQPTRBNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C6H6/c1-6(2)3-4(6)5(7)8;1-2-4-6-5-3-1/h4H,3H2,1-2H3,(H,7,8);1-6H.
What are the key properties of benzene;2,2-dimethylcyclopropane-1-carboxylic acid?
benzene;2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 192.26 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 144977859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).