tert-butyl-diphenyl-[(3S)-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyhex-5-enoxy]silane

C31H46O6Si — CID 138981354

IUPACtert-butyl-diphenyl-[(3S)-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyhex-5-enoxy]silane
SMILESC=CC[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC1OC(C)C(OC)C(OC)C1OC
InChIInChI=1S/C31H46O6Si/c1-9-16-24(37-30-29(34-8)28(33-7)27(32-6)23(2)36-30)21-22-35-38(31(3,4)5,25-17-12-10-13-18-25)26-19-14-11-15-20-26/h9-15,17-20,23-24,27-30H,1,16,21-22H2,2-8H3/t23?,24-,27?,28?,29?,30?/m0/s1
InChIKeyODHAVBHPLODCPH-DYMVGOEYSA-N
MW542.79 g/mol
LogP4.70
Rot. Bonds13

About tert-butyl-diphenyl-[(3S)-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyhex-5-enoxy]silane

tert-butyl-diphenyl-[(3S)-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyhex-5-enoxy]silane (PubChem CID 138981354) has the molecular formula C31H46O6Si and a molecular weight of 542.79 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(3S)-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyhex-5-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(3S)-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyhex-5-enoxy]silane
PubChem CID138981354
Molecular FormulaC31H46O6Si
Molecular Weight542.79 g/mol
Exact Mass542.31
IUPAC Nametert-butyl-diphenyl-[(3S)-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyhex-5-enoxy]silane
SMILESC=CC[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC1OC(C)C(OC)C(OC)C1OC
InChIInChI=1S/C31H46O6Si/c1-9-16-24(37-30-29(34-8)28(33-7)27(32-6)23(2)36-30)21-22-35-38(31(3,4)5,25-17-12-10-13-18-25)26-19-14-11-15-20-26/h9-15,17-20,23-24,27-30H,1,16,21-22H2,2-8H3/t23?,24-,27?,28?,29?,30?/m0/s1
InChIKeyODHAVBHPLODCPH-DYMVGOEYSA-N
XLogP4.70
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.79
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(3S)-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyhex-5-enoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[(3S)-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyhex-5-enoxy]silane (CID 138981354) is tert-butyl-diphenyl-[(3S)-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyhex-5-enoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[(3S)-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyhex-5-enoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[(3S)-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyhex-5-enoxy]silane is C=CC[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC1OC(C)C(OC)C(OC)C1OC.
What is the InChIKey of tert-butyl-diphenyl-[(3S)-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyhex-5-enoxy]silane?
The InChIKey is ODHAVBHPLODCPH-DYMVGOEYSA-N. The full InChI is InChI=1S/C31H46O6Si/c1-9-16-24(37-30-29(34-8)28(33-7)27(32-6)23(2)36-30)21-22-35-38(31(3,4)5,25-17-12-10-13-18-25)26-19-14-11-15-20-26/h9-15,17-20,23-24,27-30H,1,16,21-22H2,2-8H3/t23?,24-,27?,28?,29?,30?/m0/s1.
What are the key properties of tert-butyl-diphenyl-[(3S)-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyhex-5-enoxy]silane?
tert-butyl-diphenyl-[(3S)-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyhex-5-enoxy]silane has a molecular weight of 542.79 g/mol, XLogP of 4.70, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(3S)-3-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyhex-5-enoxy]silane is sourced from PubChem (CID 138981354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).