(4Z)-4-[(4-methylphenyl)sulfonylmethylidene]-2,5-dipropyl-1,3-dioxolane

C17H24O4S — CID 134932828

IUPAC(4Z)-4-[(4-methylphenyl)sulfonylmethylidene]-2,5-dipropyl-1,3-dioxolane
SMILESCCCC1O/C(=C\S(=O)(=O)c2ccc(C)cc2)C(CCC)O1
InChIInChI=1S/C17H24O4S/c1-4-6-15-16(21-17(20-15)7-5-2)12-22(18,19)14-10-8-13(3)9-11-14/h8-12,15,17H,4-7H2,1-3H3/b16-12-
InChIKeyHZAKPNFSRBASBY-VBKFSLOCSA-N
MW324.44 g/mol
LogP3.95
Rot. Bonds6

About (4Z)-4-[(4-methylphenyl)sulfonylmethylidene]-2,5-dipropyl-1,3-dioxolane

(4Z)-4-[(4-methylphenyl)sulfonylmethylidene]-2,5-dipropyl-1,3-dioxolane (PubChem CID 134932828) has the molecular formula C17H24O4S and a molecular weight of 324.44 g/mol. Its IUPAC name is (4Z)-4-[(4-methylphenyl)sulfonylmethylidene]-2,5-dipropyl-1,3-dioxolane.

Molecular Properties

Compound Name(4Z)-4-[(4-methylphenyl)sulfonylmethylidene]-2,5-dipropyl-1,3-dioxolane
PubChem CID134932828
Molecular FormulaC17H24O4S
Molecular Weight324.44 g/mol
Exact Mass324.14
IUPAC Name(4Z)-4-[(4-methylphenyl)sulfonylmethylidene]-2,5-dipropyl-1,3-dioxolane
SMILESCCCC1O/C(=C\S(=O)(=O)c2ccc(C)cc2)C(CCC)O1
InChIInChI=1S/C17H24O4S/c1-4-6-15-16(21-17(20-15)7-5-2)12-22(18,19)14-10-8-13(3)9-11-14/h8-12,15,17H,4-7H2,1-3H3/b16-12-
InChIKeyHZAKPNFSRBASBY-VBKFSLOCSA-N
XLogP3.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-Methylbenzene-1-sulfonyl)ethyl]-1,3-dioxolane
CID 12538998
2-(4-Methylsulfonylphenyl)-1,3-dioxolane
CID 71221830
[(2R)-5-methoxyoxolan-2-yl]methyl 4-methylbenzenesulfonate
CID 90833798
2-methoxy-3,5-dimethyl-6-[(2R,4Z)-4-[(E)-2-methyl-3-(4-methylsulfonylphenyl)prop-2-enylidene]tetrahydrofuran-2-yl]pyran-4-one
CID 122606040
2-(1-Tosylvinyl)tetrahydrofuran
CID 10514974
(4R,5R)-4-(iodomethyl)-2,2-dimethyl-5-[(E)-2-(4-methylphenyl)sulfonyl-2-methylsulfanylethenyl]-1,3-dioxolane
CID 10928767
(3aS,7aS)-2,2-dimethyl-6-(4-methylphenyl)sulfonyl-4,7a-dihydro-3aH-thiopyrano[3,4-d][1,3]dioxole
CID 10969450
1-[(R)-[(1Z,3E)-5,5-diethoxypenta-1,3-dienyl]sulfinyl]-4-methylbenzene
CID 11098407
[(4R,5S)-5-[(E)-2-(benzenesulfonyl)ethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
CID 11155202
2-[4-(4-Methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane
CID 11255349
4-(4-Methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran
CID 11289396
[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
CID 13550243

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-methylphenyl)sulfonylmethylidene]-2,5-dipropyl-1,3-dioxolane?
The IUPAC name of (4Z)-4-[(4-methylphenyl)sulfonylmethylidene]-2,5-dipropyl-1,3-dioxolane (CID 134932828) is (4Z)-4-[(4-methylphenyl)sulfonylmethylidene]-2,5-dipropyl-1,3-dioxolane.
What is the SMILES notation for (4Z)-4-[(4-methylphenyl)sulfonylmethylidene]-2,5-dipropyl-1,3-dioxolane?
The canonical SMILES for (4Z)-4-[(4-methylphenyl)sulfonylmethylidene]-2,5-dipropyl-1,3-dioxolane is CCCC1O/C(=C\S(=O)(=O)c2ccc(C)cc2)C(CCC)O1.
What is the InChIKey of (4Z)-4-[(4-methylphenyl)sulfonylmethylidene]-2,5-dipropyl-1,3-dioxolane?
The InChIKey is HZAKPNFSRBASBY-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H24O4S/c1-4-6-15-16(21-17(20-15)7-5-2)12-22(18,19)14-10-8-13(3)9-11-14/h8-12,15,17H,4-7H2,1-3H3/b16-12-.
What are the key properties of (4Z)-4-[(4-methylphenyl)sulfonylmethylidene]-2,5-dipropyl-1,3-dioxolane?
(4Z)-4-[(4-methylphenyl)sulfonylmethylidene]-2,5-dipropyl-1,3-dioxolane has a molecular weight of 324.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-methylphenyl)sulfonylmethylidene]-2,5-dipropyl-1,3-dioxolane is sourced from PubChem (CID 134932828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).