(4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid

C6H10O4 — CID 11126405

IUPAC(4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
SMILESCC1(C)OC[C@@H](C(=O)O)O1
InChIInChI=1S/C6H10O4/c1-6(2)9-3-4(10-6)5(7)8/h4H,3H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyOZPFVBLDYBXHAF-BYPYZUCNSA-N
MW146.14 g/mol
LogP0.22
Rot. Bonds1

About (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid

(4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid (PubChem CID 11126405) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
PubChem CID11126405
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
SMILESCC1(C)OC[C@@H](C(=O)O)O1
InChIInChI=1S/C6H10O4/c1-6(2)9-3-4(10-6)5(7)8/h4H,3H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyOZPFVBLDYBXHAF-BYPYZUCNSA-N
XLogP0.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid (CID 11126405) is (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid is CC1(C)OC[C@@H](C(=O)O)O1.
What is the InChIKey of (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The InChIKey is OZPFVBLDYBXHAF-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10O4/c1-6(2)9-3-4(10-6)5(7)8/h4H,3H2,1-2H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
(4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid has a molecular weight of 146.14 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid is sourced from PubChem (CID 11126405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).