2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid

C12H20O2 — CID 84667097

IUPAC2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid
SMILESCC1(C2CCCCC2)CC1CC(=O)O
InChIInChI=1S/C12H20O2/c1-12(8-10(12)7-11(13)14)9-5-3-2-4-6-9/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyXDVNUERYXGMANP-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.07
Rot. Bonds3

About 2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid

2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid (PubChem CID 84667097) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid
PubChem CID84667097
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid
SMILESCC1(C2CCCCC2)CC1CC(=O)O
InChIInChI=1S/C12H20O2/c1-12(8-10(12)7-11(13)14)9-5-3-2-4-6-9/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyXDVNUERYXGMANP-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-2-methylcyclopropane-1-carboxylic acid
CID 62633940
N-[(2-cyclohexyl-2-methylcyclopropyl)methyl]-2-methylpropan-1-amine
CID 62712645
N-[(2-cyclohexyl-2-methylcyclopropyl)methyl]cyclopropanamine
CID 62713154
2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid
CID 117170091
2-(2-tert-butyl-2-methylcyclopropyl)acetic acid
CID 84653843
N-[(2-cyclopentyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine
CID 62714405
2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid
CID 117025539
2-(10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)acetic acid
CID 142450699
2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 98874526
2-[(1S,2S)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]acetic acid
CID 7140308
2-[(1R)-2,2-dichlorocyclopropyl]acetic acid
CID 99811196
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid?
The IUPAC name of 2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid (CID 84667097) is 2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid.
What is the SMILES notation for 2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid?
The canonical SMILES for 2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid is CC1(C2CCCCC2)CC1CC(=O)O.
What is the InChIKey of 2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid?
The InChIKey is XDVNUERYXGMANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-12(8-10(12)7-11(13)14)9-5-3-2-4-6-9/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid?
2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid has a molecular weight of 196.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid is sourced from PubChem (CID 84667097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).