octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

C39H60Si — CID 173473518

IUPACoctadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCCCCCCCCCCCCCCCCCC[Si](c1ccccc1)(c1ccccc1)C1(C)C=C(C)C(C)=C1C
InChIInChI=1S/C39H60Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-32-40(37-28-23-21-24-29-37,38-30-25-22-26-31-38)39(5)33-34(2)35(3)36(39)4/h21-26,28-31,33H,6-20,27,32H2,1-5H3
InChIKeyHTFCOOUBHQGBPA-UHFFFAOYSA-N
MW557.00 g/mol
LogP11.57
Rot. Bonds20

About octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173473518) has the molecular formula C39H60Si and a molecular weight of 557.00 g/mol. Its IUPAC name is octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Nameoctadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID173473518
Molecular FormulaC39H60Si
Molecular Weight557.00 g/mol
Exact Mass556.45
IUPAC Nameoctadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCCCCCCCCCCCCCCCCCC[Si](c1ccccc1)(c1ccccc1)C1(C)C=C(C)C(C)=C1C
InChIInChI=1S/C39H60Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-32-40(37-28-23-21-24-29-37,38-30-25-22-26-31-38)39(5)33-34(2)35(3)36(39)4/h21-26,28-31,33H,6-20,27,32H2,1-5H3
InChIKeyHTFCOOUBHQGBPA-UHFFFAOYSA-N
XLogP11.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.00
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173474111
diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 18686554
(3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473039
[dihexyl(phenyl)silyl]-dihexyl-phenylsilane
CID 12059876
heptadecyl(triphenyl)silane
CID 4520075
methyl-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473069
decyl-methyl-diphenylsilane
CID 15259590
dihexyl-methyl-phenylsilane
CID 71342172
icosyl-dimethyl-phenylsilane
CID 91054385
dichloro-heptyl-phenylsilane
CID 101161411
chloro-hexyl-iodo-phenylsilane
CID 154486835
iodo-methyl-octyl-phenylsilane
CID 154486879

Frequently Asked Questions

What is the IUPAC name of octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 173473518) is octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is CCCCCCCCCCCCCCCCCC[Si](c1ccccc1)(c1ccccc1)C1(C)C=C(C)C(C)=C1C.
What is the InChIKey of octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is HTFCOOUBHQGBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H60Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-32-40(37-28-23-21-24-29-37,38-30-25-22-26-31-38)39(5)33-34(2)35(3)36(39)4/h21-26,28-31,33H,6-20,27,32H2,1-5H3.
What are the key properties of octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 557.00 g/mol, XLogP of 11.57, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173473518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).