2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid

C11H18O4 — CID 117170089

IUPAC2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid
SMILESO=C(O)CC1COC(C2CCCCC2)O1
InChIInChI=1S/C11H18O4/c12-10(13)6-9-7-14-11(15-9)8-4-2-1-3-5-8/h8-9,11H,1-7H2,(H,12,13)
InChIKeyKLKNIILSSJLIRK-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.78
Rot. Bonds3

About 2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid

2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid (PubChem CID 117170089) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid
PubChem CID117170089
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid
SMILESO=C(O)CC1COC(C2CCCCC2)O1
InChIInChI=1S/C11H18O4/c12-10(13)6-9-7-14-11(15-9)8-4-2-1-3-5-8/h8-9,11H,1-7H2,(H,12,13)
InChIKeyKLKNIILSSJLIRK-UHFFFAOYSA-N
XLogP1.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117168464
(1R)-2-[(2S,4S)-2-cyclohexyl-1,3-dioxolan-4-yl]-1-phenylethanol
CID 134945504
2-cyclopentyl-1,3-dioxolan-4-ol
CID 67076221
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid
CID 117170091
2-(10-bicyclo[4.3.1]decanyl)acetic acid
CID 115020771
2-[2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid
CID 117168668
2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid
CID 117168672
cycloheptylcycloheptane;2-methylidenebutanedioic acid
CID 175019086
2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile
CID 117170053
2-(4-cyclohexylmorpholin-2-yl)acetic acid
CID 66433671
3-[2-(thiolan-2-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117168902

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid?
The IUPAC name of 2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid (CID 117170089) is 2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid?
The canonical SMILES for 2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid is O=C(O)CC1COC(C2CCCCC2)O1.
What is the InChIKey of 2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid?
The InChIKey is KLKNIILSSJLIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c12-10(13)6-9-7-14-11(15-9)8-4-2-1-3-5-8/h8-9,11H,1-7H2,(H,12,13).
What are the key properties of 2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid?
2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid has a molecular weight of 214.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid is sourced from PubChem (CID 117170089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).