7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one

C29H62O7Si2 — CID 87594295

IUPAC7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one
SMILESCCO[Si](CCCCCCC(C)C(=O)C(C)CCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C29H62O7Si2/c1-9-31-37(32-10-2,33-11-3)25-21-17-15-19-23-27(7)29(30)28(8)24-20-16-18-22-26-38(34-12-4,35-13-5)36-14-6/h27-28H,9-26H2,1-8H3
InChIKeyICRHYMMNXCEBII-UHFFFAOYSA-N
MW578.98 g/mol
LogP7.83
Rot. Bonds28

About 7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one

7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one (PubChem CID 87594295) has the molecular formula C29H62O7Si2 and a molecular weight of 578.98 g/mol. Its IUPAC name is 7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one.

Molecular Properties

Compound Name7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one
PubChem CID87594295
Molecular FormulaC29H62O7Si2
Molecular Weight578.98 g/mol
Exact Mass578.40
IUPAC Name7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one
SMILESCCO[Si](CCCCCCC(C)C(=O)C(C)CCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C29H62O7Si2/c1-9-31-37(32-10-2,33-11-3)25-21-17-15-19-23-27(7)29(30)28(8)24-20-16-18-22-26-38(34-12-4,35-13-5)36-14-6/h27-28H,9-26H2,1-8H3
InChIKeyICRHYMMNXCEBII-UHFFFAOYSA-N
XLogP7.83
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.98
LogP ≤ 57.83
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

4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593623
1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one
CID 87593412
6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one
CID 87595275
2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate
CID 160702926
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
11-triethoxysilylundecanoic acid
CID 22725829
18-triethoxysilyloctadecanoic acid
CID 87685990
6-triethoxysilylhexan-2-yl prop-2-enoate
CID 141250716
8-triethoxysilyloctanethioic S-acid
CID 87672935
1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one
CID 87595576
triethoxy-[(E)-6-methylnon-7-enyl]silane
CID 87112447
triethoxy(6-methylnon-7-enyl)silane
CID 123953366

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one?
The IUPAC name of 7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one (CID 87594295) is 7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one.
What is the SMILES notation for 7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one?
The canonical SMILES for 7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one is CCO[Si](CCCCCCC(C)C(=O)C(C)CCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one?
The InChIKey is ICRHYMMNXCEBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H62O7Si2/c1-9-31-37(32-10-2,33-11-3)25-21-17-15-19-23-27(7)29(30)28(8)24-20-16-18-22-26-38(34-12-4,35-13-5)36-14-6/h27-28H,9-26H2,1-8H3.
What are the key properties of 7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one?
7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one has a molecular weight of 578.98 g/mol, XLogP of 7.83, 28 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one is sourced from PubChem (CID 87594295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).