[(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane

C32H48O2SSi — CID 15406677

IUPAC[(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane
SMILESCC1=C(/C=C/C(C)=C\C=C(C(\C)=C\CO[Si](C)(C)C(C)(C)C)/S(=O)c2ccccc2)C(C)(C)CCC1
InChIInChI=1S/C32H48O2SSi/c1-25(18-20-29-26(2)15-14-23-32(29,7)8)19-21-30(35(33)28-16-12-11-13-17-28)27(3)22-24-34-36(9,10)31(4,5)6/h11-13,16-22H,14-15,23-24H2,1-10H3/b20-18+,25-19-,27-22+,30-21-
InChIKeyOKMRUCVAFOKEGC-LYLCEUASSA-N
MW524.89 g/mol
LogP9.68
Rot. Bonds9

About [(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane

[(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane (PubChem CID 15406677) has the molecular formula C32H48O2SSi and a molecular weight of 524.89 g/mol. Its IUPAC name is [(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane
PubChem CID15406677
Molecular FormulaC32H48O2SSi
Molecular Weight524.89 g/mol
Exact Mass524.31
IUPAC Name[(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane
SMILESCC1=C(/C=C/C(C)=C\C=C(C(\C)=C\CO[Si](C)(C)C(C)(C)C)/S(=O)c2ccccc2)C(C)(C)CCC1
InChIInChI=1S/C32H48O2SSi/c1-25(18-20-29-26(2)15-14-23-32(29,7)8)19-21-30(35(33)28-16-12-11-13-17-28)27(3)22-24-34-36(9,10)31(4,5)6/h11-13,16-22H,14-15,23-24H2,1-10H3/b20-18+,25-19-,27-22+,30-21-
InChIKeyOKMRUCVAFOKEGC-LYLCEUASSA-N
XLogP9.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.89
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane with MolForge

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Related Compounds

[(1E,3E,7E)-9-methoxy-3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,7-trien-5-yl]sulfonylbenzene
CID 88747706
Trimethyl-[[3-methyl-2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane
CID 14961477
tert-butyl-[(Z,3R,4S)-6-(4-tert-butylcyclohexen-1-yl)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane
CID 15040851
[(2E,4E)-1-(benzenesulfonyl)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-trimethylsilane
CID 15731112
tert-butyl-dimethyl-[(Z)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]prop-2-enoxy]silane
CID 24881766
[(1E,3E,7E)-9-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,7-trien-5-yl]sulfonylbenzene
CID 134887181
3,3-bis[(S)-(4-methylphenyl)sulfinyl]prop-2-enoxy-tert-butyl-dimethylsilane
CID 139253748
(2E,6E,8Z)-9-(benzenesulfonyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6,8-trien-1-ol
CID 15614589
9-(Benzenesulfonyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6,8-trien-1-ol
CID 53962550
[9-Methoxy-3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,7-trien-5-yl]sulfonylbenzene
CID 54271444
[9-(Benzenesulfonyl)-6-chloro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,7-dienoxy]-[1-tritio-2-(tritiomethyl)but-3-en-2-yl]silane
CID 173376579
Tert-butyl-dimethyl-[[2,2,4-trimethyl-3-(phenylsulfanylmethyl)cyclohex-3-en-1-yl]methoxy]silane
CID 10572512

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane (CID 15406677) is [(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane is CC1=C(/C=C/C(C)=C\C=C(C(\C)=C\CO[Si](C)(C)C(C)(C)C)/S(=O)c2ccccc2)C(C)(C)CCC1.
What is the InChIKey of [(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane?
The InChIKey is OKMRUCVAFOKEGC-LYLCEUASSA-N. The full InChI is InChI=1S/C32H48O2SSi/c1-25(18-20-29-26(2)15-14-23-32(29,7)8)19-21-30(35(33)28-16-12-11-13-17-28)27(3)22-24-34-36(9,10)31(4,5)6/h11-13,16-22H,14-15,23-24H2,1-10H3/b20-18+,25-19-,27-22+,30-21-.
What are the key properties of [(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane?
[(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane has a molecular weight of 524.89 g/mol, XLogP of 9.68, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z,6Z,8E)-4-(benzenesulfinyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 15406677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).