1,7-bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one

C17H38O5Si2 — CID 87593358

IUPAC1,7-bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one
SMILESCCC(CC[Si](C)(OC)OC)C(=O)C(CC)CC[Si](C)(OC)OC
InChIInChI=1S/C17H38O5Si2/c1-9-15(11-13-23(7,19-3)20-4)17(18)16(10-2)12-14-24(8,21-5)22-6/h15-16H,9-14H2,1-8H3
InChIKeyWKPSOAYABFYMPC-UHFFFAOYSA-N
MW378.66 g/mol
LogP4.12
Rot. Bonds14

About 1,7-bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one

1,7-bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one (PubChem CID 87593358) has the molecular formula C17H38O5Si2 and a molecular weight of 378.66 g/mol. Its IUPAC name is 1,7-bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one.

Molecular Properties

Compound Name1,7-bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one
PubChem CID87593358
Molecular FormulaC17H38O5Si2
Molecular Weight378.66 g/mol
Exact Mass378.23
IUPAC Name1,7-bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one
SMILESCCC(CC[Si](C)(OC)OC)C(=O)C(CC)CC[Si](C)(OC)OC
InChIInChI=1S/C17H38O5Si2/c1-9-15(11-13-23(7,19-3)20-4)17(18)16(10-2)12-14-24(8,21-5)22-6/h15-16H,9-14H2,1-8H3
InChIKeyWKPSOAYABFYMPC-UHFFFAOYSA-N
XLogP4.12
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.66
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,7-bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one?
The IUPAC name of 1,7-bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one (CID 87593358) is 1,7-bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one.
What is the SMILES notation for 1,7-bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one?
The canonical SMILES for 1,7-bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one is CCC(CC[Si](C)(OC)OC)C(=O)C(CC)CC[Si](C)(OC)OC.
What is the InChIKey of 1,7-bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one?
The InChIKey is WKPSOAYABFYMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O5Si2/c1-9-15(11-13-23(7,19-3)20-4)17(18)16(10-2)12-14-24(8,21-5)22-6/h15-16H,9-14H2,1-8H3.
What are the key properties of 1,7-bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one?
1,7-bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one has a molecular weight of 378.66 g/mol, XLogP of 4.12, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one is sourced from PubChem (CID 87593358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).