[(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane

C27H48O4SSi2 — CID 11092607

IUPAC[(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane
SMILESCC[Si](CC)(CC)/C(=C/[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)CC[C@@H]1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H48O4SSi2/c1-10-34(11-2,12-3)26(32(28,29)24-16-14-13-15-17-24)20-25-22(4)18-19-23(31-25)21-30-33(8,9)27(5,6)7/h13-17,20,22-23,25H,10-12,18-19,21H2,1-9H3/b26-20+/t22-,23-,25-/m0/s1
InChIKeyKLOUSHJMVYRNIY-CXJABIJHSA-N
MW524.92 g/mol
LogP7.60
Rot. Bonds10

About [(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane

[(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane (PubChem CID 11092607) has the molecular formula C27H48O4SSi2 and a molecular weight of 524.92 g/mol. Its IUPAC name is [(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane.

Molecular Properties

Compound Name[(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane
PubChem CID11092607
Molecular FormulaC27H48O4SSi2
Molecular Weight524.92 g/mol
Exact Mass524.28
IUPAC Name[(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane
SMILESCC[Si](CC)(CC)/C(=C/[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)CC[C@@H]1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H48O4SSi2/c1-10-34(11-2,12-3)26(32(28,29)24-16-14-13-15-17-24)20-25-22(4)18-19-23(31-25)21-30-33(8,9)27(5,6)7/h13-17,20,22-23,25H,10-12,18-19,21H2,1-9H3/b26-20+/t22-,23-,25-/m0/s1
InChIKeyKLOUSHJMVYRNIY-CXJABIJHSA-N
XLogP7.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.92
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2R,5R)-3-(benzenesulfonyl)-5-methoxy-2-methylcyclohept-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 90873445
[(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane
CID 14240060
[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methyl 4-methylbenzenesulfonate
CID 101541512
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]2-deoxy-D-araHex(a)-Bes
CID 134878493
tert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane
CID 134879371
TBDMS(-3)[Et(-4)][TBDMS(-6)]2-deoxy-D-araHex(b)-Bes
CID 134882863
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]2-deoxy-D-araHex-Bes
CID 134882885
[(2R,3R,4R,6R)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134937451
[(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134937815
[(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane
CID 138980717
[(1S,2S,3R,6R)-5-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylcyclohept-4-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 139115545
[(2R,3R)-3-(benzenesulfonyl)-3-(3-phenylpropyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10433715

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane?
The IUPAC name of [(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane (CID 11092607) is [(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane.
What is the SMILES notation for [(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane?
The canonical SMILES for [(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane is CC[Si](CC)(CC)/C(=C/[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)CC[C@@H]1C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane?
The InChIKey is KLOUSHJMVYRNIY-CXJABIJHSA-N. The full InChI is InChI=1S/C27H48O4SSi2/c1-10-34(11-2,12-3)26(32(28,29)24-16-14-13-15-17-24)20-25-22(4)18-19-23(31-25)21-30-33(8,9)27(5,6)7/h13-17,20,22-23,25H,10-12,18-19,21H2,1-9H3/b26-20+/t22-,23-,25-/m0/s1.
What are the key properties of [(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane?
[(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane has a molecular weight of 524.92 g/mol, XLogP of 7.60, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane is sourced from PubChem (CID 11092607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).