[(Z)-2-methoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene

C15H18O3S — CID 11140423

IUPAC[(Z)-2-methoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene
SMILESCO/C(C#CC(C)(C)C)=C\S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H18O3S/c1-15(2,3)11-10-13(18-4)12-19(16,17)14-8-6-5-7-9-14/h5-9,12H,1-4H3/b13-12-
InChIKeyLLDCPPXGASYCFT-SEYXRHQNSA-N
MW278.37 g/mol
LogP3.00
Rot. Bonds3

About [(Z)-2-methoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene

[(Z)-2-methoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene (PubChem CID 11140423) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is [(Z)-2-methoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene.

Molecular Properties

Compound Name[(Z)-2-methoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene
PubChem CID11140423
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Name[(Z)-2-methoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene
SMILESCO/C(C#CC(C)(C)C)=C\S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H18O3S/c1-15(2,3)11-10-13(18-4)12-19(16,17)14-8-6-5-7-9-14/h5-9,12H,1-4H3/b13-12-
InChIKeyLLDCPPXGASYCFT-SEYXRHQNSA-N
XLogP3.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-ethoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene
CID 177499106
(E)-1-(benzenesulfonyl)prop-1-en-2-ol
CID 118410381
[4-(benzenesulfonyl)-3-methylbut-3-en-1-ynyl]-trimethylsilane
CID 23269839
2-chloroprop-1-enylsulfonylbenzene
CID 71326207
[(Z)-1-(benzenesulfonyl)-5-methoxypent-1-en-3-yn-2-yl]benzene
CID 10903050
2-(benzenesulfonyl)ethene-1,1-diamine
CID 21311523
6-(benzenesulfonyl)-2-methylhex-5-en-3-yn-2-ol
CID 4577593
[2-(benzenesulfonyl)-1-phenylethenyl]benzene
CID 822356
methyl (E)-4-(benzenesulfonyl)but-3-enoate
CID 134877326
N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide
CID 162400578
[(1E)-2-bromo-3-methylbuta-1,3-dienyl]sulfonylbenzene
CID 102324021
benzenesulfonic acid;2,2-dimethoxypropane
CID 90422071

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-methoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene?
The IUPAC name of [(Z)-2-methoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene (CID 11140423) is [(Z)-2-methoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene.
What is the SMILES notation for [(Z)-2-methoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene?
The canonical SMILES for [(Z)-2-methoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene is CO/C(C#CC(C)(C)C)=C\S(=O)(=O)c1ccccc1.
What is the InChIKey of [(Z)-2-methoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene?
The InChIKey is LLDCPPXGASYCFT-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H18O3S/c1-15(2,3)11-10-13(18-4)12-19(16,17)14-8-6-5-7-9-14/h5-9,12H,1-4H3/b13-12-.
What are the key properties of [(Z)-2-methoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene?
[(Z)-2-methoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene has a molecular weight of 278.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-methoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene is sourced from PubChem (CID 11140423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).