2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]acetic acid

C9H16O4 — CID 20766234

IUPAC2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]acetic acid
SMILESCC(C)CC1(CC(=O)O)OCCO1
InChIInChI=1S/C9H16O4/c1-7(2)5-9(6-8(10)11)12-3-4-13-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyLWIQHEJTOKKCQQ-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.25
Rot. Bonds4

About 2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]acetic acid

2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]acetic acid (PubChem CID 20766234) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]acetic acid
PubChem CID20766234
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]acetic acid
SMILESCC(C)CC1(CC(=O)O)OCCO1
InChIInChI=1S/C9H16O4/c1-7(2)5-9(6-8(10)11)12-3-4-13-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyLWIQHEJTOKKCQQ-UHFFFAOYSA-N
XLogP1.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxaspiro[4.4]nonane-6-carboxylic acid
CID 13392615
(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid
CID 6398860
2-Methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanoic acid
CID 19019562
2-(2-Propyl-1,3-dioxolan-2-yl)acetic acid
CID 59537270
Ethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate
CID 102166125
2-[2-(4-Methyl-5-oxohexyl)-1,3-dioxolan-2-yl]acetic acid
CID 135038624
Ethyl 1,4-dioxaspiro[4.4]nonane-6-carboxylate
CID 10536021
(2-Isopropyl-[1,3]dioxolan-2-yl)-acetic acid ethyl ester
CID 10560027
Methyl 2-(2-isopropyl-1,3-dioxolan-2-yl)acetate
CID 13085712
2-(2-Propan-2-yl-1,3-dioxolan-2-yl)acetic acid
CID 13085717
Diethyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate
CID 14272263
Ethyl 2-(2-ethyl-1,3-dioxolan-2-yl)propanoate
CID 14443808

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]acetic acid?
The IUPAC name of 2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]acetic acid (CID 20766234) is 2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]acetic acid is CC(C)CC1(CC(=O)O)OCCO1.
What is the InChIKey of 2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]acetic acid?
The InChIKey is LWIQHEJTOKKCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-7(2)5-9(6-8(10)11)12-3-4-13-9/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]acetic acid?
2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]acetic acid has a molecular weight of 188.22 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]acetic acid is sourced from PubChem (CID 20766234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).