hydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane

C35H54O2Si — CID 70879858

IUPAChydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane
SMILESCCCCCCCCCOCCC#CCCCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H54O2Si/c1-4-5-6-7-12-15-24-31-37-32-25-16-13-10-8-9-11-14-23-30-35(2,3)38(36,33-26-19-17-20-27-33)34-28-21-18-22-29-34/h17-22,26-29,36H,4-12,14-15,23-25,30-32H2,1-3H3
InChIKeyWVGCUBNPNPYUNA-UHFFFAOYSA-N
MW534.90 g/mol
LogP8.41
Rot. Bonds20

About hydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane

hydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane (PubChem CID 70879858) has the molecular formula C35H54O2Si and a molecular weight of 534.90 g/mol. Its IUPAC name is hydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane.

Molecular Properties

Compound Namehydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane
PubChem CID70879858
Molecular FormulaC35H54O2Si
Molecular Weight534.90 g/mol
Exact Mass534.39
IUPAC Namehydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane
SMILESCCCCCCCCCOCCC#CCCCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H54O2Si/c1-4-5-6-7-12-15-24-31-37-32-25-16-13-10-8-9-11-14-23-30-35(2,3)38(36,33-26-19-17-20-27-33)34-28-21-18-22-29-34/h17-22,26-29,36H,4-12,14-15,23-25,30-32H2,1-3H3
InChIKeyWVGCUBNPNPYUNA-UHFFFAOYSA-N
XLogP8.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.90
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
12-[hydroxy(diphenyl)silyl]-12-methyltridecan-1-ol
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(9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane
CID 90132778
icos-13-ynoxymethylbenzene
CID 134976299
1-oct-3-ynoxynonane
CID 175464713
hydroxy-(2-methyl-6-phenylhexan-2-yl)-diphenylsilane
CID 70887086
hexadec-11-ynoxymethylbenzene
CID 134976298
(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol
CID 90132776
tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane
CID 101356645
(5-heptoxy-2-methylpentan-2-yl)benzene
CID 143912410
1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol
CID 86716473
dimethyl-oct-1-ynyl-phenylsilane
CID 13357120

Frequently Asked Questions

What is the IUPAC name of hydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane?
The IUPAC name of hydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane (CID 70879858) is hydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane.
What is the SMILES notation for hydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane?
The canonical SMILES for hydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane is CCCCCCCCCOCCC#CCCCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of hydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane?
The InChIKey is WVGCUBNPNPYUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H54O2Si/c1-4-5-6-7-12-15-24-31-37-32-25-16-13-10-8-9-11-14-23-30-35(2,3)38(36,33-26-19-17-20-27-33)34-28-21-18-22-29-34/h17-22,26-29,36H,4-12,14-15,23-25,30-32H2,1-3H3.
What are the key properties of hydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane?
hydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane has a molecular weight of 534.90 g/mol, XLogP of 8.41, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(2-methyl-13-nonoxytridec-10-yn-2-yl)-diphenylsilane is sourced from PubChem (CID 70879858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).