2-(1-butan-2-ylcyclohexyl)acetic acid

C12H22O2 — CID 83819034

IUPAC2-(1-butan-2-ylcyclohexyl)acetic acid
SMILESCCC(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H22O2/c1-3-10(2)12(9-11(13)14)7-5-4-6-8-12/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyURHYTKJJRUYCCA-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.46
Rot. Bonds4

About 2-(1-butan-2-ylcyclohexyl)acetic acid

2-(1-butan-2-ylcyclohexyl)acetic acid (PubChem CID 83819034) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(1-butan-2-ylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(1-butan-2-ylcyclohexyl)acetic acid
PubChem CID83819034
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(1-butan-2-ylcyclohexyl)acetic acid
SMILESCCC(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H22O2/c1-3-10(2)12(9-11(13)14)7-5-4-6-8-12/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyURHYTKJJRUYCCA-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-butan-2-ylcyclopentyl)acetic acid
CID 83817372
2-(3-butan-2-ylthiolan-3-yl)acetic acid
CID 83819549
2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid
CID 70185847
2-[1-[1-amino-2-[2-(2-methylpropanoyloxy)propan-2-yloxy]-2-oxoethyl]cyclohexyl]acetic acid
CID 68800596
2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid
CID 66097341
1,1-di(butan-2-yl)cycloheptane
CID 91149690
2-[1-[2-(1-acetyloxy-2-methylpropoxy)-1-amino-2-oxoethyl]cyclohexyl]acetic acid
CID 69331188
2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid
CID 43235012
2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804931
2-[3-(1-fluoroethyl)thian-3-yl]acetic acid
CID 115024732
2-(1-tetradecylcyclohexyl)acetic acid
CID 172766747
2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid
CID 64685103

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylcyclohexyl)acetic acid?
The IUPAC name of 2-(1-butan-2-ylcyclohexyl)acetic acid (CID 83819034) is 2-(1-butan-2-ylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(1-butan-2-ylcyclohexyl)acetic acid?
The canonical SMILES for 2-(1-butan-2-ylcyclohexyl)acetic acid is CCC(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-(1-butan-2-ylcyclohexyl)acetic acid?
The InChIKey is URHYTKJJRUYCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-10(2)12(9-11(13)14)7-5-4-6-8-12/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 2-(1-butan-2-ylcyclohexyl)acetic acid?
2-(1-butan-2-ylcyclohexyl)acetic acid has a molecular weight of 198.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylcyclohexyl)acetic acid is sourced from PubChem (CID 83819034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).