(4R)-4-(3-ethylsulfanyloxiran-2-yl)-2,2-dimethyl-1,3-dioxolane

C9H16O3S — CID 10608276

IUPAC(4R)-4-(3-ethylsulfanyloxiran-2-yl)-2,2-dimethyl-1,3-dioxolane
SMILESCCSC1OC1[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H16O3S/c1-4-13-8-7(11-8)6-5-10-9(2,3)12-6/h6-8H,4-5H2,1-3H3/t6-,7?,8?/m1/s1
InChIKeyOCRMWGRGBFNKNB-JECWYVHBSA-N
MW204.29 g/mol
LogP1.62
Rot. Bonds3

About (4R)-4-(3-ethylsulfanyloxiran-2-yl)-2,2-dimethyl-1,3-dioxolane

(4R)-4-(3-ethylsulfanyloxiran-2-yl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 10608276) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is (4R)-4-(3-ethylsulfanyloxiran-2-yl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-(3-ethylsulfanyloxiran-2-yl)-2,2-dimethyl-1,3-dioxolane
PubChem CID10608276
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name(4R)-4-(3-ethylsulfanyloxiran-2-yl)-2,2-dimethyl-1,3-dioxolane
SMILESCCSC1OC1[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H16O3S/c1-4-13-8-7(11-8)6-5-10-9(2,3)12-6/h6-8H,4-5H2,1-3H3/t6-,7?,8?/m1/s1
InChIKeyOCRMWGRGBFNKNB-JECWYVHBSA-N
XLogP1.62
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-ethylsulfanyloxiran-2-yl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-(3-ethylsulfanyloxiran-2-yl)-2,2-dimethyl-1,3-dioxolane (CID 10608276) is (4R)-4-(3-ethylsulfanyloxiran-2-yl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-(3-ethylsulfanyloxiran-2-yl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-(3-ethylsulfanyloxiran-2-yl)-2,2-dimethyl-1,3-dioxolane is CCSC1OC1[C@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-4-(3-ethylsulfanyloxiran-2-yl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is OCRMWGRGBFNKNB-JECWYVHBSA-N. The full InChI is InChI=1S/C9H16O3S/c1-4-13-8-7(11-8)6-5-10-9(2,3)12-6/h6-8H,4-5H2,1-3H3/t6-,7?,8?/m1/s1.
What are the key properties of (4R)-4-(3-ethylsulfanyloxiran-2-yl)-2,2-dimethyl-1,3-dioxolane?
(4R)-4-(3-ethylsulfanyloxiran-2-yl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 204.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-ethylsulfanyloxiran-2-yl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 10608276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).