CID 176589523

C32H44O4Si — CID 176589523

IUPAC—
SMILESCC1(C)C2CCC1(C)C1(C2)OO[C@@]2(CCC[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)O1
InChIInChI=1S/C32H44O4Si/c1-28(2,3)37(26-15-9-7-10-16-26,27-17-11-8-12-18-27)33-25-14-13-20-31(23-25)34-32(36-35-31)22-24-19-21-30(32,6)29(24,4)5/h7-12,15-18,24-25H,13-14,19-23H2,1-6H3/t24?,25-,30?,31-,32?/m1/s1
InChIKeyAVTMFPQERUWDGB-RZYVWLROSA-N
MW520.79 g/mol
LogP6.72
Rot. Bonds4

About CID 176589523

CID 176589523 (PubChem CID 176589523) has the molecular formula C32H44O4Si and a molecular weight of 520.79 g/mol.

Molecular Properties

Compound NameCID 176589523
PubChem CID176589523
Molecular FormulaC32H44O4Si
Molecular Weight520.79 g/mol
Exact Mass520.30
IUPAC Name—
SMILESCC1(C)C2CCC1(C)C1(C2)OO[C@@]2(CCC[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)O1
InChIInChI=1S/C32H44O4Si/c1-28(2,3)37(26-15-9-7-10-16-26,27-17-11-8-12-18-27)33-25-14-13-20-31(23-25)34-32(36-35-31)22-24-19-21-30(32,6)29(24,4)5/h7-12,15-18,24-25H,13-14,19-23H2,1-6H3/t24?,25-,30?,31-,32?/m1/s1
InChIKeyAVTMFPQERUWDGB-RZYVWLROSA-N
XLogP6.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.79
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 176589524
CID 176589524
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CID 140756800
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
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(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
[(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane
CID 177203387
CID 10558048
CID 10558048
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane
CID 167381101
[(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol
CID 173098272
(1'R,3aR,4S,4'R,5R,6R,7S,7aS)-1',7',7'-trimethyl-4,5,6,7-tetrakis(phenylmethoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-bicyclo[2.2.1]heptane]
CID 14505233
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
tert-butyl-diphenyl-[(3R)-pyrrolidin-3-yl]oxysilane
CID 58393504

Frequently Asked Questions

What is the IUPAC name of CID 176589523?
The IUPAC name of CID 176589523 (CID 176589523) is not available.
What is the SMILES notation for CID 176589523?
The canonical SMILES for CID 176589523 is CC1(C)C2CCC1(C)C1(C2)OO[C@@]2(CCC[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)O1.
What is the InChIKey of CID 176589523?
The InChIKey is AVTMFPQERUWDGB-RZYVWLROSA-N. The full InChI is InChI=1S/C32H44O4Si/c1-28(2,3)37(26-15-9-7-10-16-26,27-17-11-8-12-18-27)33-25-14-13-20-31(23-25)34-32(36-35-31)22-24-19-21-30(32,6)29(24,4)5/h7-12,15-18,24-25H,13-14,19-23H2,1-6H3/t24?,25-,30?,31-,32?/m1/s1.
What are the key properties of CID 176589523?
CID 176589523 has a molecular weight of 520.79 g/mol, XLogP of 6.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176589523 is sourced from PubChem (CID 176589523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).