2-(4,4-diethylcyclohexyl)acetic acid

C12H22O2 — CID 123185635

IUPAC2-(4,4-diethylcyclohexyl)acetic acid
SMILESCCC1(CC)CCC(CC(=O)O)CC1
InChIInChI=1S/C12H22O2/c1-3-12(4-2)7-5-10(6-8-12)9-11(13)14/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyUGNGXCRLRVBTGY-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.46
Rot. Bonds4

About 2-(4,4-diethylcyclohexyl)acetic acid

2-(4,4-diethylcyclohexyl)acetic acid (PubChem CID 123185635) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(4,4-diethylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(4,4-diethylcyclohexyl)acetic acid
PubChem CID123185635
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(4,4-diethylcyclohexyl)acetic acid
SMILESCCC1(CC)CCC(CC(=O)O)CC1
InChIInChI=1S/C12H22O2/c1-3-12(4-2)7-5-10(6-8-12)9-11(13)14/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyUGNGXCRLRVBTGY-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-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid
CID 105455969
2-spiro[5.5]undecan-3-ylacetic acid
CID 83909560
2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid
CID 117021293
2-[4-[(1-ethylcyclopropanecarbonyl)amino]cyclohexyl]acetic acid
CID 121439175
2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid
CID 119178068
2-(4,4-diethylcyclohexyl)ethane-1,1-diol
CID 123911610
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797
2-(3-propylsulfonyl-3-azaspiro[5.5]undecan-9-yl)acetic acid
CID 166273848
2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 79605697
2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid
CID 83618301
2-(3,3,4,4-tetramethylcyclopentyl)acetic acid
CID 135389559
azane;2-cyclohexylacetic acid;iron
CID 67746719

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylcyclohexyl)acetic acid?
The IUPAC name of 2-(4,4-diethylcyclohexyl)acetic acid (CID 123185635) is 2-(4,4-diethylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(4,4-diethylcyclohexyl)acetic acid?
The canonical SMILES for 2-(4,4-diethylcyclohexyl)acetic acid is CCC1(CC)CCC(CC(=O)O)CC1.
What is the InChIKey of 2-(4,4-diethylcyclohexyl)acetic acid?
The InChIKey is UGNGXCRLRVBTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-12(4-2)7-5-10(6-8-12)9-11(13)14/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 2-(4,4-diethylcyclohexyl)acetic acid?
2-(4,4-diethylcyclohexyl)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-(4,4-diethylcyclohexyl)acetic acid is sourced from PubChem (CID 123185635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).