methyl 11-methylidene-13-triethylsilyltridecanoate

C21H42O2Si — CID 135061991

IUPACmethyl 11-methylidene-13-triethylsilyltridecanoate
SMILESC=C(CCCCCCCCCC(=O)OC)CC[Si](CC)(CC)CC
InChIInChI=1S/C21H42O2Si/c1-6-24(7-2,8-3)19-18-20(4)16-14-12-10-9-11-13-15-17-21(22)23-5/h4,6-19H2,1-3,5H3
InChIKeyIOOJOHPYUQLFAP-UHFFFAOYSA-N
MW354.65 g/mol
LogP7.13
Rot. Bonds16

About methyl 11-methylidene-13-triethylsilyltridecanoate

methyl 11-methylidene-13-triethylsilyltridecanoate (PubChem CID 135061991) has the molecular formula C21H42O2Si and a molecular weight of 354.65 g/mol. Its IUPAC name is methyl 11-methylidene-13-triethylsilyltridecanoate.

Molecular Properties

Compound Namemethyl 11-methylidene-13-triethylsilyltridecanoate
PubChem CID135061991
Molecular FormulaC21H42O2Si
Molecular Weight354.65 g/mol
Exact Mass354.30
IUPAC Namemethyl 11-methylidene-13-triethylsilyltridecanoate
SMILESC=C(CCCCCCCCCC(=O)OC)CC[Si](CC)(CC)CC
InChIInChI=1S/C21H42O2Si/c1-6-24(7-2,8-3)19-18-20(4)16-14-12-10-9-11-13-15-17-21(22)23-5/h4,6-19H2,1-3,5H3
InChIKeyIOOJOHPYUQLFAP-UHFFFAOYSA-N
XLogP7.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.65
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 11-methylidene-13-triethylsilyltridecanoate?
The IUPAC name of methyl 11-methylidene-13-triethylsilyltridecanoate (CID 135061991) is methyl 11-methylidene-13-triethylsilyltridecanoate.
What is the SMILES notation for methyl 11-methylidene-13-triethylsilyltridecanoate?
The canonical SMILES for methyl 11-methylidene-13-triethylsilyltridecanoate is C=C(CCCCCCCCCC(=O)OC)CC[Si](CC)(CC)CC.
What is the InChIKey of methyl 11-methylidene-13-triethylsilyltridecanoate?
The InChIKey is IOOJOHPYUQLFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O2Si/c1-6-24(7-2,8-3)19-18-20(4)16-14-12-10-9-11-13-15-17-21(22)23-5/h4,6-19H2,1-3,5H3.
What are the key properties of methyl 11-methylidene-13-triethylsilyltridecanoate?
methyl 11-methylidene-13-triethylsilyltridecanoate has a molecular weight of 354.65 g/mol, XLogP of 7.13, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-methylidene-13-triethylsilyltridecanoate is sourced from PubChem (CID 135061991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).