CID 173246388

C52H63O2Si3 — CID 173246388

IUPAC—
SMILESCC(C)(C)[Si](OC1=CC2=C(CCCC2)C1C[SiH]CC1C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)=CC2=C1CCCC2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H63O2Si3/c1-51(2,3)56(41-25-11-7-12-26-41,42-27-13-8-14-28-42)53-49-35-39-23-19-21-33-45(39)47(49)37-55-38-48-46-34-22-20-24-40(46)36-50(48)54-57(52(4,5)6,43-29-15-9-16-30-43)44-31-17-10-18-32-44/h7-18,25-32,35-36,47-48,55H,19-24,33-34,37-38H2,1-6H3
InChIKeyCDDRHLLHOGOZOK-UHFFFAOYSA-N
MW804.33 g/mol
LogP11.18
Rot. Bonds12

About CID 173246388

CID 173246388 (PubChem CID 173246388) has the molecular formula C52H63O2Si3 and a molecular weight of 804.33 g/mol.

Molecular Properties

Compound NameCID 173246388
PubChem CID173246388
Molecular FormulaC52H63O2Si3
Molecular Weight804.33 g/mol
Exact Mass803.41
IUPAC Name—
SMILESCC(C)(C)[Si](OC1=CC2=C(CCCC2)C1C[SiH]CC1C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)=CC2=C1CCCC2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H63O2Si3/c1-51(2,3)56(41-25-11-7-12-26-41,42-27-13-8-14-28-42)53-49-35-39-23-19-21-33-45(39)47(49)37-55-38-48-46-34-22-20-24-40(46)36-50(48)54-57(52(4,5)6,43-29-15-9-16-30-43)44-31-17-10-18-32-44/h7-18,25-32,35-36,47-48,55H,19-24,33-34,37-38H2,1-6H3
InChIKeyCDDRHLLHOGOZOK-UHFFFAOYSA-N
XLogP11.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.33
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
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tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane
CID 171429782
tert-butyl-[[1-[tert-butyl(diphenyl)silyl]oxy-1H-inden-2-yl]oxy]-diphenylsilane
CID 173164965
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
(5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane
CID 18367327
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
CID 135016093
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406

Frequently Asked Questions

What is the IUPAC name of CID 173246388?
The IUPAC name of CID 173246388 (CID 173246388) is not available.
What is the SMILES notation for CID 173246388?
The canonical SMILES for CID 173246388 is CC(C)(C)[Si](OC1=CC2=C(CCCC2)C1C[SiH]CC1C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)=CC2=C1CCCC2)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 173246388?
The InChIKey is CDDRHLLHOGOZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H63O2Si3/c1-51(2,3)56(41-25-11-7-12-26-41,42-27-13-8-14-28-42)53-49-35-39-23-19-21-33-45(39)47(49)37-55-38-48-46-34-22-20-24-40(46)36-50(48)54-57(52(4,5)6,43-29-15-9-16-30-43)44-31-17-10-18-32-44/h7-18,25-32,35-36,47-48,55H,19-24,33-34,37-38H2,1-6H3.
What are the key properties of CID 173246388?
CID 173246388 has a molecular weight of 804.33 g/mol, XLogP of 11.18, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173246388 is sourced from PubChem (CID 173246388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).