3-(2-propan-2-ylcyclohexyl)propanoic acid

C12H22O2 — CID 84733624

IUPAC3-(2-propan-2-ylcyclohexyl)propanoic acid
SMILESCC(C)C1CCCCC1CCC(=O)O
InChIInChI=1S/C12H22O2/c1-9(2)11-6-4-3-5-10(11)7-8-12(13)14/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyUCEQDNFMPQRFRT-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.31
Rot. Bonds4

About 3-(2-propan-2-ylcyclohexyl)propanoic acid

3-(2-propan-2-ylcyclohexyl)propanoic acid (PubChem CID 84733624) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(2-propan-2-ylcyclohexyl)propanoic acid.

Molecular Properties

Compound Name3-(2-propan-2-ylcyclohexyl)propanoic acid
PubChem CID84733624
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-(2-propan-2-ylcyclohexyl)propanoic acid
SMILESCC(C)C1CCCCC1CCC(=O)O
InChIInChI=1S/C12H22O2/c1-9(2)11-6-4-3-5-10(11)7-8-12(13)14/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyUCEQDNFMPQRFRT-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 26840
Pristanic acid
CID 123929
2-Hexyldecanoic acid
CID 32912
Anteisopentadecanoic Acid
CID 21672
(R)-(-)-2-propyloctanoic acid
CID 208925
alpha-Ethyl-1-hydroxycyclohexaneacetic acid
CID 72065
2-Methylheptanoic acid
CID 14475
Cyclohexaneacetic acid
CID 21363
4-Ethyloctanoic acid
CID 61840
13-Methyltetradecanoic Acid
CID 151014
Isooctanoic acid
CID 90716
4-Methylnonanoic acid
CID 62003

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylcyclohexyl)propanoic acid?
The IUPAC name of 3-(2-propan-2-ylcyclohexyl)propanoic acid (CID 84733624) is 3-(2-propan-2-ylcyclohexyl)propanoic acid.
What is the SMILES notation for 3-(2-propan-2-ylcyclohexyl)propanoic acid?
The canonical SMILES for 3-(2-propan-2-ylcyclohexyl)propanoic acid is CC(C)C1CCCCC1CCC(=O)O.
What is the InChIKey of 3-(2-propan-2-ylcyclohexyl)propanoic acid?
The InChIKey is UCEQDNFMPQRFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(2)11-6-4-3-5-10(11)7-8-12(13)14/h9-11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-propan-2-ylcyclohexyl)propanoic acid?
3-(2-propan-2-ylcyclohexyl)propanoic acid has a molecular weight of 198.31 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylcyclohexyl)propanoic acid is sourced from PubChem (CID 84733624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).