9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one

C27H58O7Si2 — CID 87595580

IUPAC9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one
SMILESCCCCCCCCC(C)(C(=O)C(C)(CCCCCCCC)[Si](OC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C27H58O7Si2/c1-11-13-15-17-19-21-23-26(3,35(29-5,30-6)31-7)25(28)27(4,36(32-8,33-9)34-10)24-22-20-18-16-14-12-2/h11-24H2,1-10H3
InChIKeyMEGSNMZRHHCARJ-UHFFFAOYSA-N
MW550.93 g/mol
LogP7.33
Rot. Bonds24

About 9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one

9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one (PubChem CID 87595580) has the molecular formula C27H58O7Si2 and a molecular weight of 550.93 g/mol. Its IUPAC name is 9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one.

Molecular Properties

Compound Name9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one
PubChem CID87595580
Molecular FormulaC27H58O7Si2
Molecular Weight550.93 g/mol
Exact Mass550.37
IUPAC Name9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one
SMILESCCCCCCCCC(C)(C(=O)C(C)(CCCCCCCC)[Si](OC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C27H58O7Si2/c1-11-13-15-17-19-21-23-26(3,35(29-5,30-6)31-7)25(28)27(4,36(32-8,33-9)34-10)24-22-20-18-16-14-12-2/h11-24H2,1-10H3
InChIKeyMEGSNMZRHHCARJ-UHFFFAOYSA-N
XLogP7.33
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.93
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane
CID 141102210
5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one
CID 87595221
methyl 2-methyl-2-sulfanylnonadecanoate
CID 88720330
methyl 2-chloro-2-methyldodecanoate
CID 14293501
2,2-dimethyldodecanoyl chloride
CID 15656432
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
methyl 2-hydroxy-2-methylnonanoate
CID 62212880
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
dimethyl 2,2-di(nonyl)propanedioate
CID 166760695
2-methyl-2-(2-methylnonan-2-yl)propanedioic acid
CID 175181388
4-trimethoxysilylhenicosan-4-amine;hydrochloride
CID 174053760

Frequently Asked Questions

What is the IUPAC name of 9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one?
The IUPAC name of 9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one (CID 87595580) is 9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one.
What is the SMILES notation for 9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one?
The canonical SMILES for 9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one is CCCCCCCCC(C)(C(=O)C(C)(CCCCCCCC)[Si](OC)(OC)OC)[Si](OC)(OC)OC.
What is the InChIKey of 9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one?
The InChIKey is MEGSNMZRHHCARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58O7Si2/c1-11-13-15-17-19-21-23-26(3,35(29-5,30-6)31-7)25(28)27(4,36(32-8,33-9)34-10)24-22-20-18-16-14-12-2/h11-24H2,1-10H3.
What are the key properties of 9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one?
9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one has a molecular weight of 550.93 g/mol, XLogP of 7.33, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one is sourced from PubChem (CID 87595580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).