1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane

C37H62O3Si — CID 66710987

IUPAC1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(CCCCCCCCOCc1ccccc1)CCCCCCCCOCc1ccccc1
InChIInChI=1S/C37H62O3Si/c1-37(2,3)41(4,5)40-36(28-20-10-6-8-12-22-30-38-32-34-24-16-14-17-25-34)29-21-11-7-9-13-23-31-39-33-35-26-18-15-19-27-35/h14-19,24-27,36H,6-13,20-23,28-33H2,1-5H3
InChIKeyWRMVGNYXAMPFEE-UHFFFAOYSA-N
MW582.99 g/mol
LogP11.27
Rot. Bonds24

About 1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane

1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane (PubChem CID 66710987) has the molecular formula C37H62O3Si and a molecular weight of 582.99 g/mol. Its IUPAC name is 1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
PubChem CID66710987
Molecular FormulaC37H62O3Si
Molecular Weight582.99 g/mol
Exact Mass582.45
IUPAC Name1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(CCCCCCCCOCc1ccccc1)CCCCCCCCOCc1ccccc1
InChIInChI=1S/C37H62O3Si/c1-37(2,3)41(4,5)40-36(28-20-10-6-8-12-22-30-38-32-34-24-16-14-17-25-34)29-21-11-7-9-13-23-31-39-33-35-26-18-15-19-27-35/h14-19,24-27,36H,6-13,20-23,28-33H2,1-5H3
InChIKeyWRMVGNYXAMPFEE-UHFFFAOYSA-N
XLogP11.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.99
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide
CID 11228048
[(5S,9R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-13-phenylmethoxytridec-6-ynoxy]-tert-butyl-diphenylsilane
CID 164671859
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide
CID 11125202
(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-8-phenylmethoxyoctanal
CID 11081542
tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
CID 174283029
(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
CID 101138351
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate
CID 11222352
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol
CID 135025916
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-phenylmethoxyoctanal
CID 51041198
tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane
CID 57341570
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660

Frequently Asked Questions

What is the IUPAC name of 1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane (CID 66710987) is 1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC(CCCCCCCCOCc1ccccc1)CCCCCCCCOCc1ccccc1.
What is the InChIKey of 1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane?
The InChIKey is WRMVGNYXAMPFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H62O3Si/c1-37(2,3)41(4,5)40-36(28-20-10-6-8-12-22-30-38-32-34-24-16-14-17-25-34)29-21-11-7-9-13-23-31-39-33-35-26-18-15-19-27-35/h14-19,24-27,36H,6-13,20-23,28-33H2,1-5H3.
What are the key properties of 1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane?
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane has a molecular weight of 582.99 g/mol, XLogP of 11.27, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 66710987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).