2-methyl-4-trimethoxysilyltetradec-1-en-3-one

C18H36O4Si — CID 19591767

IUPAC2-methyl-4-trimethoxysilyltetradec-1-en-3-one
SMILESC=C(C)C(=O)C(CCCCCCCCCC)[Si](OC)(OC)OC
InChIInChI=1S/C18H36O4Si/c1-7-8-9-10-11-12-13-14-15-17(18(19)16(2)3)23(20-4,21-5)22-6/h17H,2,7-15H2,1,3-6H3
InChIKeyADDGRBQASNVAFU-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.91
Rot. Bonds15

About 2-methyl-4-trimethoxysilyltetradec-1-en-3-one

2-methyl-4-trimethoxysilyltetradec-1-en-3-one (PubChem CID 19591767) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is 2-methyl-4-trimethoxysilyltetradec-1-en-3-one.

Molecular Properties

Compound Name2-methyl-4-trimethoxysilyltetradec-1-en-3-one
PubChem CID19591767
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name2-methyl-4-trimethoxysilyltetradec-1-en-3-one
SMILESC=C(C)C(=O)C(CCCCCCCCCC)[Si](OC)(OC)OC
InChIInChI=1S/C18H36O4Si/c1-7-8-9-10-11-12-13-14-15-17(18(19)16(2)3)23(20-4,21-5)22-6/h17H,2,7-15H2,1,3-6H3
InChIKeyADDGRBQASNVAFU-UHFFFAOYSA-N
XLogP4.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-trimethoxysilyltetradec-1-en-3-one?
The IUPAC name of 2-methyl-4-trimethoxysilyltetradec-1-en-3-one (CID 19591767) is 2-methyl-4-trimethoxysilyltetradec-1-en-3-one.
What is the SMILES notation for 2-methyl-4-trimethoxysilyltetradec-1-en-3-one?
The canonical SMILES for 2-methyl-4-trimethoxysilyltetradec-1-en-3-one is C=C(C)C(=O)C(CCCCCCCCCC)[Si](OC)(OC)OC.
What is the InChIKey of 2-methyl-4-trimethoxysilyltetradec-1-en-3-one?
The InChIKey is ADDGRBQASNVAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-7-8-9-10-11-12-13-14-15-17(18(19)16(2)3)23(20-4,21-5)22-6/h17H,2,7-15H2,1,3-6H3.
What are the key properties of 2-methyl-4-trimethoxysilyltetradec-1-en-3-one?
2-methyl-4-trimethoxysilyltetradec-1-en-3-one has a molecular weight of 344.57 g/mol, XLogP of 4.91, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-trimethoxysilyltetradec-1-en-3-one is sourced from PubChem (CID 19591767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).