7,9-bis[diethoxy(ethyl)silyl]pentadecan-8-one

C27H58O5Si2 — CID 87593778

IUPAC7,9-bis[diethoxy(ethyl)silyl]pentadecan-8-one
SMILESCCCCCCC(C(=O)C(CCCCCC)[Si](CC)(OCC)OCC)[Si](CC)(OCC)OCC
InChIInChI=1S/C27H58O5Si2/c1-9-17-19-21-23-25(33(15-7,29-11-3)30-12-4)27(28)26(24-22-20-18-10-2)34(16-8,31-13-5)32-14-6/h25-26H,9-24H2,1-8H3
InChIKeyGAXRUSIOTIJNGL-UHFFFAOYSA-N
MW518.93 g/mol
LogP8.31
Rot. Bonds24

About 7,9-bis[diethoxy(ethyl)silyl]pentadecan-8-one

7,9-bis[diethoxy(ethyl)silyl]pentadecan-8-one (PubChem CID 87593778) has the molecular formula C27H58O5Si2 and a molecular weight of 518.93 g/mol. Its IUPAC name is 7,9-bis[diethoxy(ethyl)silyl]pentadecan-8-one.

Molecular Properties

Compound Name7,9-bis[diethoxy(ethyl)silyl]pentadecan-8-one
PubChem CID87593778
Molecular FormulaC27H58O5Si2
Molecular Weight518.93 g/mol
Exact Mass518.38
IUPAC Name7,9-bis[diethoxy(ethyl)silyl]pentadecan-8-one
SMILESCCCCCCC(C(=O)C(CCCCCC)[Si](CC)(OCC)OCC)[Si](CC)(OCC)OCC
InChIInChI=1S/C27H58O5Si2/c1-9-17-19-21-23-25(33(15-7,29-11-3)30-12-4)27(28)26(24-22-20-18-10-2)34(16-8,31-13-5)32-14-6/h25-26H,9-24H2,1-8H3
InChIKeyGAXRUSIOTIJNGL-UHFFFAOYSA-N
XLogP8.31
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.93
LogP ≤ 58.31
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 7,9-bis[diethoxy(ethyl)silyl]pentadecan-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

2-[diethoxy(ethyl)silyl]decanal
CID 87595226
22,24-di(henicosyl)pentatetracontan-23-one
CID 174350862
9,11-dipentylnonadecan-10-one
CID 174915946
11,13-diheptyltricosan-12-one
CID 175328104
ethyl 2-dodecyltetradecanoate
CID 125289764
ethyl 2-hexyloctanoate
CID 18373010
henicosan-3-yl hydrogen carbonate
CID 87300438
2-trichlorosilyldodecanoic acid
CID 87682899
1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate
CID 162767548
ethyl 5-sulfanyl-2-triethoxysilylpentanoate
CID 174845024
methyl 2-[chloro(dimethyl)silyl]undecanoate
CID 11514827
heptadecan-9-yl hydrogen carbonate
CID 18183422

Frequently Asked Questions

What is the IUPAC name of 7,9-bis[diethoxy(ethyl)silyl]pentadecan-8-one?
The IUPAC name of 7,9-bis[diethoxy(ethyl)silyl]pentadecan-8-one (CID 87593778) is 7,9-bis[diethoxy(ethyl)silyl]pentadecan-8-one.
What is the SMILES notation for 7,9-bis[diethoxy(ethyl)silyl]pentadecan-8-one?
The canonical SMILES for 7,9-bis[diethoxy(ethyl)silyl]pentadecan-8-one is CCCCCCC(C(=O)C(CCCCCC)[Si](CC)(OCC)OCC)[Si](CC)(OCC)OCC.
What is the InChIKey of 7,9-bis[diethoxy(ethyl)silyl]pentadecan-8-one?
The InChIKey is GAXRUSIOTIJNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58O5Si2/c1-9-17-19-21-23-25(33(15-7,29-11-3)30-12-4)27(28)26(24-22-20-18-10-2)34(16-8,31-13-5)32-14-6/h25-26H,9-24H2,1-8H3.
What are the key properties of 7,9-bis[diethoxy(ethyl)silyl]pentadecan-8-one?
7,9-bis[diethoxy(ethyl)silyl]pentadecan-8-one has a molecular weight of 518.93 g/mol, XLogP of 8.31, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-bis[diethoxy(ethyl)silyl]pentadecan-8-one is sourced from PubChem (CID 87593778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).