[tert-butyl(dimethyl)silyl] (Z)-octadec-6-enoate

C24H48O2Si — CID 91743169

IUPAC[tert-butyl(dimethyl)silyl] (Z)-octadec-6-enoate
SMILESCCCCCCCCCCC/C=C\CCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)26-27(5,6)24(2,3)4/h17-18H,7-16,19-22H2,1-6H3/b18-17-
InChIKeyBAQHCGVJKGIVFT-ZCXUNETKSA-N
MW396.73 g/mol
LogP8.57
Rot. Bonds16

About [tert-butyl(dimethyl)silyl] (Z)-octadec-6-enoate

[tert-butyl(dimethyl)silyl] (Z)-octadec-6-enoate (PubChem CID 91743169) has the molecular formula C24H48O2Si and a molecular weight of 396.73 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (Z)-octadec-6-enoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (Z)-octadec-6-enoate
PubChem CID91743169
Molecular FormulaC24H48O2Si
Molecular Weight396.73 g/mol
Exact Mass396.34
IUPAC Name[tert-butyl(dimethyl)silyl] (Z)-octadec-6-enoate
SMILESCCCCCCCCCCC/C=C\CCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)26-27(5,6)24(2,3)4/h17-18H,7-16,19-22H2,1-6H3/b18-17-
InChIKeyBAQHCGVJKGIVFT-ZCXUNETKSA-N
XLogP8.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.73
LogP ≤ 58.57
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'}

Analyze [tert-butyl(dimethyl)silyl] (Z)-octadec-6-enoate with MolForge

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

Launch Full Analysis

Related Compounds

CID 5461010
CID 5461010
CID 5366433
CID 5366433
CID 5352430
CID 5352430
CID 5366426
CID 5366426
CID 5352431
CID 5352431
CID 5352900
CID 5352900
CID 5366427
CID 5366427
CID 71571457
CID 71571457
CID 91696405
CID 91696405
CID 129821971
CID 129821971
CID 129726792
CID 129726792
CID 5352341
CID 5352341

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] (Z)-octadec-6-enoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (Z)-octadec-6-enoate (CID 91743169) is [tert-butyl(dimethyl)silyl] (Z)-octadec-6-enoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (Z)-octadec-6-enoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (Z)-octadec-6-enoate is CCCCCCCCCCC/C=C\CCCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (Z)-octadec-6-enoate?
The InChIKey is BAQHCGVJKGIVFT-ZCXUNETKSA-N. The full InChI is InChI=1S/C24H48O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)26-27(5,6)24(2,3)4/h17-18H,7-16,19-22H2,1-6H3/b18-17-.
What are the key properties of [tert-butyl(dimethyl)silyl] (Z)-octadec-6-enoate?
[tert-butyl(dimethyl)silyl] (Z)-octadec-6-enoate has a molecular weight of 396.73 g/mol, XLogP of 8.57, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (Z)-octadec-6-enoate is sourced from PubChem (CID 91743169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).