methyl 11-triformylsilylundecanoate

C15H26O5Si — CID 87151520

IUPACmethyl 11-triformylsilylundecanoate
SMILESCOC(=O)CCCCCCCCCC[Si](C=O)(C=O)C=O
InChIInChI=1S/C15H26O5Si/c1-20-15(19)10-8-6-4-2-3-5-7-9-11-21(12-16,13-17)14-18/h12-14H,2-11H2,1H3
InChIKeyMMKRSRBWKCIJDQ-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.43
Rot. Bonds14

About methyl 11-triformylsilylundecanoate

methyl 11-triformylsilylundecanoate (PubChem CID 87151520) has the molecular formula C15H26O5Si and a molecular weight of 314.45 g/mol. Its IUPAC name is methyl 11-triformylsilylundecanoate.

Molecular Properties

Compound Namemethyl 11-triformylsilylundecanoate
PubChem CID87151520
Molecular FormulaC15H26O5Si
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Namemethyl 11-triformylsilylundecanoate
SMILESCOC(=O)CCCCCCCCCC[Si](C=O)(C=O)C=O
InChIInChI=1S/C15H26O5Si/c1-20-15(19)10-8-6-4-2-3-5-7-9-11-21(12-16,13-17)14-18/h12-14H,2-11H2,1H3
InChIKeyMMKRSRBWKCIJDQ-UHFFFAOYSA-N
XLogP2.43
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
methyl 20-trichlorosilylicosanoate
CID 153307616
methyl 10-oxodecanoate
CID 519005
methyl 13-oxotridecanoate
CID 10331995
methyl 7,8-dioxooctanoate
CID 155039399
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl hexanedioate;stannane
CID 173290076
methyl 18-fluorooctadecanoate
CID 10034
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
dimethyl 9-oxooctadecanedioate
CID 544455

Frequently Asked Questions

What is the IUPAC name of methyl 11-triformylsilylundecanoate?
The IUPAC name of methyl 11-triformylsilylundecanoate (CID 87151520) is methyl 11-triformylsilylundecanoate.
What is the SMILES notation for methyl 11-triformylsilylundecanoate?
The canonical SMILES for methyl 11-triformylsilylundecanoate is COC(=O)CCCCCCCCCC[Si](C=O)(C=O)C=O.
What is the InChIKey of methyl 11-triformylsilylundecanoate?
The InChIKey is MMKRSRBWKCIJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5Si/c1-20-15(19)10-8-6-4-2-3-5-7-9-11-21(12-16,13-17)14-18/h12-14H,2-11H2,1H3.
What are the key properties of methyl 11-triformylsilylundecanoate?
methyl 11-triformylsilylundecanoate has a molecular weight of 314.45 g/mol, XLogP of 2.43, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-triformylsilylundecanoate is sourced from PubChem (CID 87151520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).