(4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane

C18H24O4S — CID 146504958

IUPAC(4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane
SMILESC=C1C(C2OCC[C@H]2CS(=O)(=O)c2ccccc2)OCC[C@H]1C
InChIInChI=1S/C18H24O4S/c1-13-8-10-21-17(14(13)2)18-15(9-11-22-18)12-23(19,20)16-6-4-3-5-7-16/h3-7,13,15,17-18H,2,8-12H2,1H3/t13-,15+,17?,18?/m1/s1
InChIKeyDLNLZAORGQKIAC-OSNKYIGBSA-N
MW336.45 g/mol
LogP2.85
Rot. Bonds4

About (4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane

(4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane (PubChem CID 146504958) has the molecular formula C18H24O4S and a molecular weight of 336.45 g/mol. Its IUPAC name is (4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane.

Molecular Properties

Compound Name(4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane
PubChem CID146504958
Molecular FormulaC18H24O4S
Molecular Weight336.45 g/mol
Exact Mass336.14
IUPAC Name(4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane
SMILESC=C1C(C2OCC[C@H]2CS(=O)(=O)c2ccccc2)OCC[C@H]1C
InChIInChI=1S/C18H24O4S/c1-13-8-10-21-17(14(13)2)18-15(9-11-22-18)12-23(19,20)16-6-4-3-5-7-16/h3-7,13,15,17-18H,2,8-12H2,1H3/t13-,15+,17?,18?/m1/s1
InChIKeyDLNLZAORGQKIAC-OSNKYIGBSA-N
XLogP2.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane?
The IUPAC name of (4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane (CID 146504958) is (4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane.
What is the SMILES notation for (4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane?
The canonical SMILES for (4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane is C=C1C(C2OCC[C@H]2CS(=O)(=O)c2ccccc2)OCC[C@H]1C.
What is the InChIKey of (4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane?
The InChIKey is DLNLZAORGQKIAC-OSNKYIGBSA-N. The full InChI is InChI=1S/C18H24O4S/c1-13-8-10-21-17(14(13)2)18-15(9-11-22-18)12-23(19,20)16-6-4-3-5-7-16/h3-7,13,15,17-18H,2,8-12H2,1H3/t13-,15+,17?,18?/m1/s1.
What are the key properties of (4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane?
(4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane has a molecular weight of 336.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(3R)-3-(benzenesulfonylmethyl)oxolan-2-yl]-4-methyl-3-methylideneoxane is sourced from PubChem (CID 146504958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).