methyl (7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate

C23H40O3Si — CID 101181767

IUPACmethyl (7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate
SMILESCOC(=O)C#CC(C)(CC/C=C(/C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O3Si/c1-19(2)13-11-14-20(3)15-12-17-23(7,18-16-21(24)25-8)26-27(9,10)22(4,5)6/h13,15H,11-12,14,17H2,1-10H3/b20-15-
InChIKeySKOCYRDBTFQVJR-HKWRFOASSA-N
MW392.66 g/mol
LogP6.42
Rot. Bonds8

About methyl (7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate

methyl (7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate (PubChem CID 101181767) has the molecular formula C23H40O3Si and a molecular weight of 392.66 g/mol. Its IUPAC name is methyl (7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate.

Molecular Properties

Compound Namemethyl (7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate
PubChem CID101181767
Molecular FormulaC23H40O3Si
Molecular Weight392.66 g/mol
Exact Mass392.27
IUPAC Namemethyl (7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate
SMILESCOC(=O)C#CC(C)(CC/C=C(/C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O3Si/c1-19(2)13-11-14-20(3)15-12-17-23(7,18-16-21(24)25-8)26-27(9,10)22(4,5)6/h13,15H,11-12,14,17H2,1-10H3/b20-15-
InChIKeySKOCYRDBTFQVJR-HKWRFOASSA-N
XLogP6.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.66
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze methyl (7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate?
The IUPAC name of methyl (7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate (CID 101181767) is methyl (7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate.
What is the SMILES notation for methyl (7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate?
The canonical SMILES for methyl (7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate is COC(=O)C#CC(C)(CC/C=C(/C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate?
The InChIKey is SKOCYRDBTFQVJR-HKWRFOASSA-N. The full InChI is InChI=1S/C23H40O3Si/c1-19(2)13-11-14-20(3)15-12-17-23(7,18-16-21(24)25-8)26-27(9,10)22(4,5)6/h13,15H,11-12,14,17H2,1-10H3/b20-15-.
What are the key properties of methyl (7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate?
methyl (7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate has a molecular weight of 392.66 g/mol, XLogP of 6.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-7,11-dien-2-ynoate is sourced from PubChem (CID 101181767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).