7,9-diethyl-7,9-bis(triethoxysilyl)pentadecan-8-one

C31H66O7Si2 — CID 87593608

IUPAC7,9-diethyl-7,9-bis(triethoxysilyl)pentadecan-8-one
SMILESCCCCCCC(CC)(C(=O)C(CC)(CCCCCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C31H66O7Si2/c1-11-21-23-25-27-30(13-3,39(33-15-5,34-16-6)35-17-7)29(32)31(14-4,28-26-24-22-12-2)40(36-18-8,37-19-9)38-20-10/h11-28H2,1-10H3
InChIKeyNTYYPEBGJGXMPS-UHFFFAOYSA-N
MW607.03 g/mol
LogP8.89
Rot. Bonds28

About 7,9-diethyl-7,9-bis(triethoxysilyl)pentadecan-8-one

7,9-diethyl-7,9-bis(triethoxysilyl)pentadecan-8-one (PubChem CID 87593608) has the molecular formula C31H66O7Si2 and a molecular weight of 607.03 g/mol. Its IUPAC name is 7,9-diethyl-7,9-bis(triethoxysilyl)pentadecan-8-one.

Molecular Properties

Compound Name7,9-diethyl-7,9-bis(triethoxysilyl)pentadecan-8-one
PubChem CID87593608
Molecular FormulaC31H66O7Si2
Molecular Weight607.03 g/mol
Exact Mass606.43
IUPAC Name7,9-diethyl-7,9-bis(triethoxysilyl)pentadecan-8-one
SMILESCCCCCCC(CC)(C(=O)C(CC)(CCCCCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C31H66O7Si2/c1-11-21-23-25-27-30(13-3,39(33-15-5,34-16-6)35-17-7)29(32)31(14-4,28-26-24-22-12-2)40(36-18-8,37-19-9)38-20-10/h11-28H2,1-10H3
InChIKeyNTYYPEBGJGXMPS-UHFFFAOYSA-N
XLogP8.89
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds28
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.03
LogP ≤ 58.89
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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Frequently Asked Questions

What is the IUPAC name of 7,9-diethyl-7,9-bis(triethoxysilyl)pentadecan-8-one?
The IUPAC name of 7,9-diethyl-7,9-bis(triethoxysilyl)pentadecan-8-one (CID 87593608) is 7,9-diethyl-7,9-bis(triethoxysilyl)pentadecan-8-one.
What is the SMILES notation for 7,9-diethyl-7,9-bis(triethoxysilyl)pentadecan-8-one?
The canonical SMILES for 7,9-diethyl-7,9-bis(triethoxysilyl)pentadecan-8-one is CCCCCCC(CC)(C(=O)C(CC)(CCCCCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC.
What is the InChIKey of 7,9-diethyl-7,9-bis(triethoxysilyl)pentadecan-8-one?
The InChIKey is NTYYPEBGJGXMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H66O7Si2/c1-11-21-23-25-27-30(13-3,39(33-15-5,34-16-6)35-17-7)29(32)31(14-4,28-26-24-22-12-2)40(36-18-8,37-19-9)38-20-10/h11-28H2,1-10H3.
What are the key properties of 7,9-diethyl-7,9-bis(triethoxysilyl)pentadecan-8-one?
7,9-diethyl-7,9-bis(triethoxysilyl)pentadecan-8-one has a molecular weight of 607.03 g/mol, XLogP of 8.89, 28 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-diethyl-7,9-bis(triethoxysilyl)pentadecan-8-one is sourced from PubChem (CID 87593608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).