(5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one

C9H14O4 — CID 10965229

IUPAC(5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
SMILESCC1(C)OC[C@@H]([C@@H]2CCC(=O)O2)O1
InChIInChI=1S/C9H14O4/c1-9(2)11-5-7(13-9)6-3-4-8(10)12-6/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyVXUSVYYHOQSFDJ-BQBZGAKWSA-N
MW186.21 g/mol
LogP0.84
Rot. Bonds1

About (5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one

(5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one (PubChem CID 10965229) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
PubChem CID10965229
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
SMILESCC1(C)OC[C@@H]([C@@H]2CCC(=O)O2)O1
InChIInChI=1S/C9H14O4/c1-9(2)11-5-7(13-9)6-3-4-8(10)12-6/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyVXUSVYYHOQSFDJ-BQBZGAKWSA-N
XLogP0.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
The IUPAC name of (5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one (CID 10965229) is (5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one is CC1(C)OC[C@@H]([C@@H]2CCC(=O)O2)O1.
What is the InChIKey of (5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
The InChIKey is VXUSVYYHOQSFDJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H14O4/c1-9(2)11-5-7(13-9)6-3-4-8(10)12-6/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
(5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one has a molecular weight of 186.21 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one is sourced from PubChem (CID 10965229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).