5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one

C21H46O7Si2 — CID 87595221

IUPAC5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one
SMILESCCCCC(CC)(C(=O)C(CC)(CCCC)[Si](OC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C21H46O7Si2/c1-11-15-17-20(13-3,29(23-5,24-6)25-7)19(22)21(14-4,18-16-12-2)30(26-8,27-9)28-10/h11-18H2,1-10H3
InChIKeyPGVYTBKRGGNPNJ-UHFFFAOYSA-N
MW466.76 g/mol
LogP4.99
Rot. Bonds18

About 5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one

5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one (PubChem CID 87595221) has the molecular formula C21H46O7Si2 and a molecular weight of 466.76 g/mol. Its IUPAC name is 5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one.

Molecular Properties

Compound Name5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one
PubChem CID87595221
Molecular FormulaC21H46O7Si2
Molecular Weight466.76 g/mol
Exact Mass466.28
IUPAC Name5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one
SMILESCCCCC(CC)(C(=O)C(CC)(CCCC)[Si](OC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C21H46O7Si2/c1-11-15-17-20(13-3,29(23-5,24-6)25-7)19(22)21(14-4,18-16-12-2)30(26-8,27-9)28-10/h11-18H2,1-10H3
InChIKeyPGVYTBKRGGNPNJ-UHFFFAOYSA-N
XLogP4.99
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.76
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

9,11-diethyl-9,11-bis[tris[1-(1-methoxyethoxy)ethoxy]silyl]nonadecan-10-one
CID 87655672
9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one
CID 87595580
3-trimethoxysilylheptane-3-thiol
CID 175119323
trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane
CID 141102210
λ2-stannane;methyl 2,2-dibutylhexanoate
CID 174859558
2-amino-2-trimethoxysilylbutanoic acid
CID 150282177
2,2-bis(triethoxysilyl)hexanoic acid
CID 90786538
2-ethyl-2-methylperoxyhexanoic acid
CID 175904279
5-butylnonan-5-yl methyl carbonate
CID 141441033
methyl 2-amino-2-butylhexanoate;hydrochloride
CID 162216697
3-methoxy-3-methylheptan-2-one
CID 87290850
2-butyl-2-chlorohexanoic acid
CID 178066863

Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one?
The IUPAC name of 5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one (CID 87595221) is 5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one.
What is the SMILES notation for 5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one?
The canonical SMILES for 5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one is CCCCC(CC)(C(=O)C(CC)(CCCC)[Si](OC)(OC)OC)[Si](OC)(OC)OC.
What is the InChIKey of 5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one?
The InChIKey is PGVYTBKRGGNPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O7Si2/c1-11-15-17-20(13-3,29(23-5,24-6)25-7)19(22)21(14-4,18-16-12-2)30(26-8,27-9)28-10/h11-18H2,1-10H3.
What are the key properties of 5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one?
5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one has a molecular weight of 466.76 g/mol, XLogP of 4.99, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one is sourced from PubChem (CID 87595221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).