6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one

C21H46O7Si2 — CID 87595275

IUPAC6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one
SMILESCO[Si](CCCCCC(C)C(=O)C(C)CCCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C21H46O7Si2/c1-19(15-11-9-13-17-29(23-3,24-4)25-5)21(22)20(2)16-12-10-14-18-30(26-6,27-7)28-8/h19-20H,9-18H2,1-8H3
InChIKeyZADHJNBPAUHKNG-UHFFFAOYSA-N
MW466.76 g/mol
LogP4.70
Rot. Bonds20

About 6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one

6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one (PubChem CID 87595275) has the molecular formula C21H46O7Si2 and a molecular weight of 466.76 g/mol. Its IUPAC name is 6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one.

Molecular Properties

Compound Name6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one
PubChem CID87595275
Molecular FormulaC21H46O7Si2
Molecular Weight466.76 g/mol
Exact Mass466.28
IUPAC Name6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one
SMILESCO[Si](CCCCCC(C)C(=O)C(C)CCCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C21H46O7Si2/c1-19(15-11-9-13-17-29(23-3,24-4)25-5)21(22)20(2)16-12-10-14-18-30(26-6,27-7)28-8/h19-20H,9-18H2,1-8H3
InChIKeyZADHJNBPAUHKNG-UHFFFAOYSA-N
XLogP4.70
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.76
LogP ≤ 54.70
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

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CID 87594295
1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one
CID 87595576
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
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
8-trimethoxysilyloctyl 2-methylbutanoate
CID 140925907
2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate
CID 160702926
trimethoxy(1-trimethoxysilylethyl)silane;trimethoxy(6-trimethoxysilylhexyl)silane
CID 87481356
10-trimethoxysilyldecanethioic S-acid
CID 87672120
31-trimethoxysilylhentriacontan-1-ol
CID 87684107
6-trimethoxysilylhexan-1-ol
CID 22497813
16-trimethoxysilylhexadecan-1-ol
CID 87683754

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one?
The IUPAC name of 6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one (CID 87595275) is 6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one.
What is the SMILES notation for 6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one?
The canonical SMILES for 6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one is CO[Si](CCCCCC(C)C(=O)C(C)CCCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one?
The InChIKey is ZADHJNBPAUHKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O7Si2/c1-19(15-11-9-13-17-29(23-3,24-4)25-5)21(22)20(2)16-12-10-14-18-30(26-6,27-7)28-8/h19-20H,9-18H2,1-8H3.
What are the key properties of 6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one?
6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one has a molecular weight of 466.76 g/mol, XLogP of 4.70, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one is sourced from PubChem (CID 87595275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).