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

C12H20O4 — CID 117170091

IUPAC2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid
SMILESCC1(C2CCCCC2)OCC(CC(=O)O)O1
InChIInChI=1S/C12H20O4/c1-12(9-5-3-2-4-6-9)15-8-10(16-12)7-11(13)14/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyZCSHWWJAGGQETG-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.17
Rot. Bonds3

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

2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid (PubChem CID 117170091) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid
PubChem CID117170091
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid
SMILESCC1(C2CCCCC2)OCC(CC(=O)O)O1
InChIInChI=1S/C12H20O4/c1-12(9-5-3-2-4-6-9)15-8-10(16-12)7-11(13)14/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyZCSHWWJAGGQETG-UHFFFAOYSA-N
XLogP2.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 14141015
2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine
CID 117170087
3-[2-methyl-2-(oxan-4-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117168507
2-[2-methyl-2-(thian-2-ylmethyl)-1,3-dioxolan-4-yl]acetic acid
CID 117169160
2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid
CID 117169750
[2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol
CID 117168815
methyl 2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]acetate
CID 117168377
2-cyclopentyl-2-methyl-1,3-dioxane
CID 45098524
2-[2-methyl-2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117169374
2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid
CID 84667097
2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane
CID 12914106
2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid
CID 117170089

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid?
The IUPAC name of 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid (CID 117170091) is 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid?
The canonical SMILES for 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid is CC1(C2CCCCC2)OCC(CC(=O)O)O1.
What is the InChIKey of 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid?
The InChIKey is ZCSHWWJAGGQETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-12(9-5-3-2-4-6-9)15-8-10(16-12)7-11(13)14/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid?
2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid has a molecular weight of 228.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid is sourced from PubChem (CID 117170091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).