4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triphenylsilane

C33H34OSi — CID 86212953

IUPAC4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triphenylsilane
SMILESCC(CCCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C33H34OSi/c1-33(28-16-11-12-17-28,29-18-13-14-19-29)26-15-27-34-35(30-20-5-2-6-21-30,31-22-7-3-8-23-31)32-24-9-4-10-25-32/h2-14,16-25,28-29H,15,26-27H2,1H3
InChIKeyGLQHCFDRKVFIOE-UHFFFAOYSA-N
MW474.72 g/mol
LogP5.94
Rot. Bonds10

About 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triphenylsilane

4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triphenylsilane (PubChem CID 86212953) has the molecular formula C33H34OSi and a molecular weight of 474.72 g/mol. Its IUPAC name is 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triphenylsilane.

Molecular Properties

Compound Name4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triphenylsilane
PubChem CID86212953
Molecular FormulaC33H34OSi
Molecular Weight474.72 g/mol
Exact Mass474.24
IUPAC Name4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triphenylsilane
SMILESCC(CCCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C33H34OSi/c1-33(28-16-11-12-17-28,29-18-13-14-19-29)26-15-27-34-35(30-20-5-2-6-21-30,31-22-7-3-8-23-31)32-24-9-4-10-25-32/h2-14,16-25,28-29H,15,26-27H2,1H3
InChIKeyGLQHCFDRKVFIOE-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.72
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane
CID 18622644
triphenyl(4,4,4-trifluorobutoxy)silane
CID 150215925
4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
CID 165343479
[3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane
CID 18622593
(2-methylpropan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxy-diphenylsilyl]phenyl]-diphenylsilane
CID 87143933
sodium dibutoxy-oxido-phenylsilane
CID 101018788
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)benzene
CID 141345975
(3,5-dimethylphenyl)-diphenyl-propoxysilane
CID 87533547
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane
CID 68750279
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-diphenylsilane
CID 11293613

Frequently Asked Questions

What is the IUPAC name of 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triphenylsilane?
The IUPAC name of 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triphenylsilane (CID 86212953) is 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triphenylsilane.
What is the SMILES notation for 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triphenylsilane?
The canonical SMILES for 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triphenylsilane is CC(CCCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(C1C=CC=C1)C1C=CC=C1.
What is the InChIKey of 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triphenylsilane?
The InChIKey is GLQHCFDRKVFIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34OSi/c1-33(28-16-11-12-17-28,29-18-13-14-19-29)26-15-27-34-35(30-20-5-2-6-21-30,31-22-7-3-8-23-31)32-24-9-4-10-25-32/h2-14,16-25,28-29H,15,26-27H2,1H3.
What are the key properties of 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triphenylsilane?
4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triphenylsilane has a molecular weight of 474.72 g/mol, XLogP of 5.94, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-di(cyclopenta-2,4-dien-1-yl)pentoxy-triphenylsilane is sourced from PubChem (CID 86212953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).