3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one

C21H46O5Si2 — CID 154148708

IUPAC3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one
SMILESCCC(C)(CCCCC(=O)CCCCC(C)(CC)[SiH](OC)OC)[SiH](OC)OC
InChIInChI=1S/C21H46O5Si2/c1-9-20(3,27(23-5)24-6)17-13-11-15-19(22)16-12-14-18-21(4,10-2)28(25-7)26-8/h27-28H,9-18H2,1-8H3
InChIKeyDAGYIUVCHDTAPR-UHFFFAOYSA-N
MW434.77 g/mol
LogP5.04
Rot. Bonds18

About 3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one

3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one (PubChem CID 154148708) has the molecular formula C21H46O5Si2 and a molecular weight of 434.77 g/mol. Its IUPAC name is 3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one.

Molecular Properties

Compound Name3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one
PubChem CID154148708
Molecular FormulaC21H46O5Si2
Molecular Weight434.77 g/mol
Exact Mass434.29
IUPAC Name3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one
SMILESCCC(C)(CCCCC(=O)CCCCC(C)(CC)[SiH](OC)OC)[SiH](OC)OC
InChIInChI=1S/C21H46O5Si2/c1-9-20(3,27(23-5)24-6)17-13-11-15-19(22)16-12-14-18-21(4,10-2)28(25-7)26-8/h27-28H,9-18H2,1-8H3
InChIKeyDAGYIUVCHDTAPR-UHFFFAOYSA-N
XLogP5.04
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.77
LogP ≤ 55.04
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'}

Analyze 3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methoxy-8-methylnonan-3-one
CID 103037503
2,2,11,11-tetramethyl-7,12-dioxotridecanoic acid
CID 59356091
4,4,14,14-tetramethyl-9-oxoheptadecanedioic acid
CID 10109732
2,2-dimethyldodecan-5-one
CID 114970047
8,8-dimethylnonan-4-one
CID 61481441
didecyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate
CID 169321325
nonadecan-7-one
CID 12913434
17,17-bis(sulfanyl)tetracontane-16,25-dione
CID 91542557
pentacosane-7,19-dione
CID 139254510
nonatriacontane-8,29-dione
CID 150237018
tridecane-4,10-dione
CID 158766358
pentadecan-8-one
CID 13162

Frequently Asked Questions

What is the IUPAC name of 3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one?
The IUPAC name of 3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one (CID 154148708) is 3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one.
What is the SMILES notation for 3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one?
The canonical SMILES for 3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one is CCC(C)(CCCCC(=O)CCCCC(C)(CC)[SiH](OC)OC)[SiH](OC)OC.
What is the InChIKey of 3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one?
The InChIKey is DAGYIUVCHDTAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O5Si2/c1-9-20(3,27(23-5)24-6)17-13-11-15-19(22)16-12-14-18-21(4,10-2)28(25-7)26-8/h27-28H,9-18H2,1-8H3.
What are the key properties of 3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one?
3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one has a molecular weight of 434.77 g/mol, XLogP of 5.04, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one is sourced from PubChem (CID 154148708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).