1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one

C29H62O5Si2 — CID 87593412

IUPAC1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one
SMILESCCO[Si](C)(CCCCCCCC(C)C(=O)C(C)CCCCCCC[Si](C)(OCC)OCC)OCC
InChIInChI=1S/C29H62O5Si2/c1-9-31-35(7,32-10-2)25-21-17-13-15-19-23-27(5)29(30)28(6)24-20-16-14-18-22-26-36(8,33-11-3)34-12-4/h27-28H,9-26H2,1-8H3
InChIKeyNGQGEOSXKVDIGM-UHFFFAOYSA-N
MW546.98 g/mol
LogP8.80
Rot. Bonds26

About 1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one

1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one (PubChem CID 87593412) has the molecular formula C29H62O5Si2 and a molecular weight of 546.98 g/mol. Its IUPAC name is 1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one.

Molecular Properties

Compound Name1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one
PubChem CID87593412
Molecular FormulaC29H62O5Si2
Molecular Weight546.98 g/mol
Exact Mass546.41
IUPAC Name1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one
SMILESCCO[Si](C)(CCCCCCCC(C)C(=O)C(C)CCCCCCC[Si](C)(OCC)OCC)OCC
InChIInChI=1S/C29H62O5Si2/c1-9-31-35(7,32-10-2)25-21-17-13-15-19-23-27(5)29(30)28(6)24-20-16-14-18-22-26-36(8,33-11-3)34-12-4/h27-28H,9-26H2,1-8H3
InChIKeyNGQGEOSXKVDIGM-UHFFFAOYSA-N
XLogP8.80
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.98
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one
CID 87594295
1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one
CID 87595576
4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593623
6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one
CID 87595275
diethoxy-methyl-undecylsilane
CID 140884401
6-[diethoxy(methyl)silyl]-2-methylhexanenitrile
CID 154276430
ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate
CID 22065744
5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate
CID 141250825
2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate
CID 160702926
3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide
CID 23597776
ethoxy-methyl-octyl-propan-2-yloxysilane
CID 175038920
bis[3-[diethoxy(methyl)silyl]propyl] carbonate
CID 54561598

Frequently Asked Questions

What is the IUPAC name of 1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one?
The IUPAC name of 1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one (CID 87593412) is 1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one.
What is the SMILES notation for 1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one?
The canonical SMILES for 1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one is CCO[Si](C)(CCCCCCCC(C)C(=O)C(C)CCCCCCC[Si](C)(OCC)OCC)OCC.
What is the InChIKey of 1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one?
The InChIKey is NGQGEOSXKVDIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H62O5Si2/c1-9-31-35(7,32-10-2)25-21-17-13-15-19-23-27(5)29(30)28(6)24-20-16-14-18-22-26-36(8,33-11-3)34-12-4/h27-28H,9-26H2,1-8H3.
What are the key properties of 1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one?
1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one has a molecular weight of 546.98 g/mol, XLogP of 8.80, 26 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one is sourced from PubChem (CID 87593412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).