2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid

C10H18O4 — CID 117169750

IUPAC2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid
SMILESCC(C)CC1(C)OCC(CC(=O)O)O1
InChIInChI=1S/C10H18O4/c1-7(2)5-10(3)13-6-8(14-10)4-9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyXQTWYFQWTNCPDU-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.64
Rot. Bonds4

About 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid

2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid (PubChem CID 117169750) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid
PubChem CID117169750
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid
SMILESCC(C)CC1(C)OCC(CC(=O)O)O1
InChIInChI=1S/C10H18O4/c1-7(2)5-10(3)13-6-8(14-10)4-9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyXQTWYFQWTNCPDU-UHFFFAOYSA-N
XLogP1.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate
CID 117169751
(2S,4S)-4-(chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane
CID 932583
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 14141015
2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane
CID 58219208
2-[2-methyl-2-[(4-methylphenyl)methyl]-1,3-dioxolan-4-yl]acetic acid
CID 117169668
2-[2-methyl-2-(thian-2-ylmethyl)-1,3-dioxolan-4-yl]acetic acid
CID 117169160
1-methyl-1-[[(2R,4S)-2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methyl]piperidin-1-ium
CID 751995
[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate
CID 19364552
2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid
CID 117170091
2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid
CID 117169594
2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane
CID 22072724
(2S,3R)-butane-1,2,3,4-tetrol;hydron;2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]-2-(2-methylpropyl)-1,3-dioxolane;4-methylpentan-2-one
CID 158542366

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid (CID 117169750) is 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid is CC(C)CC1(C)OCC(CC(=O)O)O1.
What is the InChIKey of 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is XQTWYFQWTNCPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(2)5-10(3)13-6-8(14-10)4-9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid?
2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 202.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 117169750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).