(5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one

C7H12O4 — CID 10975778

IUPAC(5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)[C@H](CCO)O1
InChIInChI=1S/C7H12O4/c1-7(2)10-5(3-4-8)6(9)11-7/h5,8H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyVOPYJHZPEZETOG-YFKPBYRVSA-N
MW160.17 g/mol
LogP0.05
Rot. Bonds2

About (5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one

(5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one (PubChem CID 10975778) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is (5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one
PubChem CID10975778
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name(5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)[C@H](CCO)O1
InChIInChI=1S/C7H12O4/c1-7(2)10-5(3-4-8)6(9)11-7/h5,8H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyVOPYJHZPEZETOG-YFKPBYRVSA-N
XLogP0.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of (5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one (CID 10975778) is (5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for (5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for (5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one is CC1(C)OC(=O)[C@H](CCO)O1.
What is the InChIKey of (5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one?
The InChIKey is VOPYJHZPEZETOG-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12O4/c1-7(2)10-5(3-4-8)6(9)11-7/h5,8H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one?
(5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one has a molecular weight of 160.17 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 10975778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).