8-(benzenesulfonyl)-7-hydroxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one

C19H24O4SSi — CID 11760595

IUPAC8-(benzenesulfonyl)-7-hydroxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one
SMILESC[Si](C)(C)C1=C2CCCC(O)C(S(=O)(=O)c3ccccc3)=C2CC1=O
InChIInChI=1S/C19H24O4SSi/c1-25(2,3)19-14-10-7-11-16(20)18(15(14)12-17(19)21)24(22,23)13-8-5-4-6-9-13/h4-6,8-9,16,20H,7,10-12H2,1-3H3
InChIKeyWQDZPHANLLIAPF-UHFFFAOYSA-N
MW376.55 g/mol
LogP3.41
Rot. Bonds3

About 8-(benzenesulfonyl)-7-hydroxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one

8-(benzenesulfonyl)-7-hydroxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one (PubChem CID 11760595) has the molecular formula C19H24O4SSi and a molecular weight of 376.55 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-7-hydroxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one.

Molecular Properties

Compound Name8-(benzenesulfonyl)-7-hydroxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one
PubChem CID11760595
Molecular FormulaC19H24O4SSi
Molecular Weight376.55 g/mol
Exact Mass376.12
IUPAC Name8-(benzenesulfonyl)-7-hydroxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one
SMILESC[Si](C)(C)C1=C2CCCC(O)C(S(=O)(=O)c3ccccc3)=C2CC1=O
InChIInChI=1S/C19H24O4SSi/c1-25(2,3)19-14-10-7-11-16(20)18(15(14)12-17(19)21)24(22,23)13-8-5-4-6-9-13/h4-6,8-9,16,20H,7,10-12H2,1-3H3
InChIKeyWQDZPHANLLIAPF-UHFFFAOYSA-N
XLogP3.41
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one
CID 11337357
2-(benzenesulfonylmethyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopent-2-en-1-one
CID 101649937
Ethyl 9-[3-(benzenesulfonyl)-5-(3-hydroxyoct-1-enyl)-2-oxocyclopent-3-en-1-ylidene]nonanoate
CID 54433970
ethyl (9Z)-9-[3-(benzenesulfonyl)-5-[(E)-3-hydroxyoct-1-enyl]-2-oxocyclopent-3-en-1-ylidene]nonanoate
CID 67874916
8-(benzenesulfonyl)-7-[tert-butyl(dimethyl)silyl]oxy-4,5,6,7-tetrahydro-1H-azulen-2-one
CID 10938668
8-(benzenesulfonyl)-7-hydroxy-4,5,6,7-tetrahydro-1H-azulen-2-one
CID 10990344
8-(benzenesulfonyl)-4-hydroxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one
CID 10992444
8-(benzenesulfonyl)-7-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-4,5,6,7-tetrahydro-1H-azulen-2-one
CID 11038342
8-(benzenesulfonyl)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one
CID 11049257
8-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one
CID 11049258
8-(benzenesulfonyl)-4-hydroxy-4,5,6,7-tetrahydro-1H-azulen-2-one
CID 11066666
8-(benzenesulfonyl)-7-hydroxy-3-phenyl-4,5,6,7-tetrahydro-1H-azulen-2-one
CID 11079435

Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)-7-hydroxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one?
The IUPAC name of 8-(benzenesulfonyl)-7-hydroxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one (CID 11760595) is 8-(benzenesulfonyl)-7-hydroxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one.
What is the SMILES notation for 8-(benzenesulfonyl)-7-hydroxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one?
The canonical SMILES for 8-(benzenesulfonyl)-7-hydroxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one is C[Si](C)(C)C1=C2CCCC(O)C(S(=O)(=O)c3ccccc3)=C2CC1=O.
What is the InChIKey of 8-(benzenesulfonyl)-7-hydroxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one?
The InChIKey is WQDZPHANLLIAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4SSi/c1-25(2,3)19-14-10-7-11-16(20)18(15(14)12-17(19)21)24(22,23)13-8-5-4-6-9-13/h4-6,8-9,16,20H,7,10-12H2,1-3H3.
What are the key properties of 8-(benzenesulfonyl)-7-hydroxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one?
8-(benzenesulfonyl)-7-hydroxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one has a molecular weight of 376.55 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonyl)-7-hydroxy-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one is sourced from PubChem (CID 11760595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).