trimethyl-[(1E)-1-[2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentylidene]but-3-enyl]silane

C29H40O2Si — CID 11730044

IUPACtrimethyl-[(1E)-1-[2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentylidene]but-3-enyl]silane
SMILESC=CC/C(=C1/CC(COCc2ccccc2)(COCc2ccccc2)CC1C)[Si](C)(C)C
InChIInChI=1S/C29H40O2Si/c1-6-13-28(32(3,4)5)27-19-29(18-24(27)2,22-30-20-25-14-9-7-10-15-25)23-31-21-26-16-11-8-12-17-26/h6-12,14-17,24H,1,13,18-23H2,2-5H3/b28-27+
InChIKeyQRYBBLQVUSGBIC-BYYHNAKLSA-N
MW448.72 g/mol
LogP7.59
Rot. Bonds11

About trimethyl-[(1E)-1-[2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentylidene]but-3-enyl]silane

trimethyl-[(1E)-1-[2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentylidene]but-3-enyl]silane (PubChem CID 11730044) has the molecular formula C29H40O2Si and a molecular weight of 448.72 g/mol. Its IUPAC name is trimethyl-[(1E)-1-[2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentylidene]but-3-enyl]silane.

Molecular Properties

Compound Nametrimethyl-[(1E)-1-[2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentylidene]but-3-enyl]silane
PubChem CID11730044
Molecular FormulaC29H40O2Si
Molecular Weight448.72 g/mol
Exact Mass448.28
IUPAC Nametrimethyl-[(1E)-1-[2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentylidene]but-3-enyl]silane
SMILESC=CC/C(=C1/CC(COCc2ccccc2)(COCc2ccccc2)CC1C)[Si](C)(C)C
InChIInChI=1S/C29H40O2Si/c1-6-13-28(32(3,4)5)27-19-29(18-24(27)2,22-30-20-25-14-9-7-10-15-25)23-31-21-26-16-11-8-12-17-26/h6-12,14-17,24H,1,13,18-23H2,2-5H3/b28-27+
InChIKeyQRYBBLQVUSGBIC-BYYHNAKLSA-N
XLogP7.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.72
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dibenzyloxy-2-ethylpropane
CID 563230
(R)-4-Benzyloxy-2-methylbutyl tert-butyldiphenylsilyl ether
CID 23727942
[(2R,3R)-3-fluoro-2-phenyloxolan-2-yl]methyl-(4-methylphenyl)-di(propan-2-yl)silane
CID 44471821
tert-butyl-dimethyl-[(E)-4-phenylmethoxybut-2-enoxy]silane
CID 10062946
dimethyl-phenyl-[(E)-4-phenylmethoxybut-1-enyl]silane
CID 13667197
Dimethyl-phenyl-(4-phenylmethoxybut-1-en-2-yl)silane
CID 13667205
1-[2-(Methoxymethyl)phenyl]-1-phenylsiletane
CID 85852623
1,1-Ditert-butyl-2-(2-phenylmethoxyethyl)silirane
CID 101197368
[2-(Phenylmethoxymethyl)-2-prop-2-enylpent-4-enoxy]methylbenzene
CID 10497115
4,4-Bis(phenylmethoxymethyl)hept-6-en-1-ynyl-trimethylsilane
CID 11047809
Silane, (1,1-dimethylethyl)dimethyl[[6-(phenylmethoxy)hexyl]oxy]-
CID 11186346
((3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)propoxy)methyl)benzene
CID 11471527

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1E)-1-[2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentylidene]but-3-enyl]silane?
The IUPAC name of trimethyl-[(1E)-1-[2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentylidene]but-3-enyl]silane (CID 11730044) is trimethyl-[(1E)-1-[2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentylidene]but-3-enyl]silane.
What is the SMILES notation for trimethyl-[(1E)-1-[2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentylidene]but-3-enyl]silane?
The canonical SMILES for trimethyl-[(1E)-1-[2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentylidene]but-3-enyl]silane is C=CC/C(=C1/CC(COCc2ccccc2)(COCc2ccccc2)CC1C)[Si](C)(C)C.
What is the InChIKey of trimethyl-[(1E)-1-[2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentylidene]but-3-enyl]silane?
The InChIKey is QRYBBLQVUSGBIC-BYYHNAKLSA-N. The full InChI is InChI=1S/C29H40O2Si/c1-6-13-28(32(3,4)5)27-19-29(18-24(27)2,22-30-20-25-14-9-7-10-15-25)23-31-21-26-16-11-8-12-17-26/h6-12,14-17,24H,1,13,18-23H2,2-5H3/b28-27+.
What are the key properties of trimethyl-[(1E)-1-[2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentylidene]but-3-enyl]silane?
trimethyl-[(1E)-1-[2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentylidene]but-3-enyl]silane has a molecular weight of 448.72 g/mol, XLogP of 7.59, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1E)-1-[2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentylidene]but-3-enyl]silane is sourced from PubChem (CID 11730044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).