[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene

C14H18O2S — CID 143136700

IUPAC[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene
SMILESC/C=C(\C=C/C(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H18O2S/c1-4-13(11-10-12(2)3)17(15,16)14-8-6-5-7-9-14/h4-12H,1-3H3/b11-10-,13-4+
InChIKeyDDGSFGLDAWGEJP-GRDXPDJJSA-N
MW250.36 g/mol
LogP3.58
Rot. Bonds4

About [(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene

[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene (PubChem CID 143136700) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is [(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene.

Molecular Properties

Compound Name[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene
PubChem CID143136700
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene
SMILESC/C=C(\C=C/C(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H18O2S/c1-4-13(11-10-12(2)3)17(15,16)14-8-6-5-7-9-14/h4-12H,1-3H3/b11-10-,13-4+
InChIKeyDDGSFGLDAWGEJP-GRDXPDJJSA-N
XLogP3.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylbenzene
CID 138738643
but-2-en-2-ylsulfonylbenzene
CID 85377514
(1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine
CID 6367762
hexa-2,4-dien-3-yl-methyl-diphenyl-λ4-sulfane
CID 123739336
[(Z)-pent-3-en-2-yl]sulfonylbenzene
CID 146400079
(Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol
CID 10515054
N-(2-methylpropylideneamino)benzenesulfonamide
CID 4149632
(E,3R)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol
CID 14785606
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
(E)-1-(benzenesulfonyl)prop-1-en-2-ol
CID 118410381
(E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol
CID 11371321
[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene
CID 134299911

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene?
The IUPAC name of [(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene (CID 143136700) is [(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene.
What is the SMILES notation for [(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene?
The canonical SMILES for [(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene is C/C=C(\C=C/C(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene?
The InChIKey is DDGSFGLDAWGEJP-GRDXPDJJSA-N. The full InChI is InChI=1S/C14H18O2S/c1-4-13(11-10-12(2)3)17(15,16)14-8-6-5-7-9-14/h4-12H,1-3H3/b11-10-,13-4+.
What are the key properties of [(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene?
[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene has a molecular weight of 250.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene is sourced from PubChem (CID 143136700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).