2-[(3S,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol

C11H20O3S — CID 18599376

IUPAC2-[(3S,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol
SMILESCC1(C)OCC([C@@H]2CSC[C@H]2CCO)O1
InChIInChI=1S/C11H20O3S/c1-11(2)13-5-10(14-11)9-7-15-6-8(9)3-4-12/h8-10,12H,3-7H2,1-2H3/t8-,9-,10?/m1/s1
InChIKeyIVUMZTYOBQPLSA-MGRQHWMJSA-N
MW232.34 g/mol
LogP1.50
Rot. Bonds3

About 2-[(3S,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol

2-[(3S,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol (PubChem CID 18599376) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-[(3S,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3S,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol
PubChem CID18599376
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name2-[(3S,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol
SMILESCC1(C)OCC([C@@H]2CSC[C@H]2CCO)O1
InChIInChI=1S/C11H20O3S/c1-11(2)13-5-10(14-11)9-7-15-6-8(9)3-4-12/h8-10,12H,3-7H2,1-2H3/t8-,9-,10?/m1/s1
InChIKeyIVUMZTYOBQPLSA-MGRQHWMJSA-N
XLogP1.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol?
The IUPAC name of 2-[(3S,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol (CID 18599376) is 2-[(3S,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol.
What is the SMILES notation for 2-[(3S,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol?
The canonical SMILES for 2-[(3S,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol is CC1(C)OCC([C@@H]2CSC[C@H]2CCO)O1.
What is the InChIKey of 2-[(3S,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol?
The InChIKey is IVUMZTYOBQPLSA-MGRQHWMJSA-N. The full InChI is InChI=1S/C11H20O3S/c1-11(2)13-5-10(14-11)9-7-15-6-8(9)3-4-12/h8-10,12H,3-7H2,1-2H3/t8-,9-,10?/m1/s1.
What are the key properties of 2-[(3S,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol?
2-[(3S,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol has a molecular weight of 232.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol is sourced from PubChem (CID 18599376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).