2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetic acid

C8H14O4 — CID 13085717

IUPAC2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetic acid
SMILESCC(C)C1(CC(=O)O)OCCO1
InChIInChI=1S/C8H14O4/c1-6(2)8(5-7(9)10)11-3-4-12-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyQQKQRSGMBLSAAX-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.86
Rot. Bonds3

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

2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetic acid (PubChem CID 13085717) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetic acid
PubChem CID13085717
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetic acid
SMILESCC(C)C1(CC(=O)O)OCCO1
InChIInChI=1S/C8H14O4/c1-6(2)8(5-7(9)10)11-3-4-12-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyQQKQRSGMBLSAAX-UHFFFAOYSA-N
XLogP0.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetic acid?
The IUPAC name of 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetic acid (CID 13085717) is 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetic acid.
What is the SMILES notation for 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetic acid?
The canonical SMILES for 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetic acid is CC(C)C1(CC(=O)O)OCCO1.
What is the InChIKey of 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetic acid?
The InChIKey is QQKQRSGMBLSAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-6(2)8(5-7(9)10)11-3-4-12-8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetic acid?
2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetic acid has a molecular weight of 174.20 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-1,3-dioxolan-2-yl)acetic acid is sourced from PubChem (CID 13085717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).