14-trichlorosilyltetradecan-2-yl prop-2-enoate

C17H31Cl3O2Si — CID 168864094

IUPAC14-trichlorosilyltetradecan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C17H31Cl3O2Si/c1-3-17(21)22-16(2)14-12-10-8-6-4-5-7-9-11-13-15-23(18,19)20/h3,16H,1,4-15H2,2H3
InChIKeyFZJHQCRABYWSGC-UHFFFAOYSA-N
MW401.88 g/mol
LogP7.05
Rot. Bonds15

About 14-trichlorosilyltetradecan-2-yl prop-2-enoate

14-trichlorosilyltetradecan-2-yl prop-2-enoate (PubChem CID 168864094) has the molecular formula C17H31Cl3O2Si and a molecular weight of 401.88 g/mol. Its IUPAC name is 14-trichlorosilyltetradecan-2-yl prop-2-enoate.

Molecular Properties

Compound Name14-trichlorosilyltetradecan-2-yl prop-2-enoate
PubChem CID168864094
Molecular FormulaC17H31Cl3O2Si
Molecular Weight401.88 g/mol
Exact Mass400.12
IUPAC Name14-trichlorosilyltetradecan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C17H31Cl3O2Si/c1-3-17(21)22-16(2)14-12-10-8-6-4-5-7-9-11-13-15-23(18,19)20/h3,16H,1,4-15H2,2H3
InChIKeyFZJHQCRABYWSGC-UHFFFAOYSA-N
XLogP7.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.88
LogP ≤ 57.05
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
CID 168864206
4-trichlorosilylbutan-2-yl prop-2-enoate
CID 141005988
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate
CID 168864209
19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
CID 168864259
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
6-triethoxysilylhexan-2-yl prop-2-enoate
CID 141250716
4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate
CID 159860704
(7-chloro-7-oxoheptan-2-yl) prop-2-enoate
CID 164897717
CID 168864103
CID 168864103

Frequently Asked Questions

What is the IUPAC name of 14-trichlorosilyltetradecan-2-yl prop-2-enoate?
The IUPAC name of 14-trichlorosilyltetradecan-2-yl prop-2-enoate (CID 168864094) is 14-trichlorosilyltetradecan-2-yl prop-2-enoate.
What is the SMILES notation for 14-trichlorosilyltetradecan-2-yl prop-2-enoate?
The canonical SMILES for 14-trichlorosilyltetradecan-2-yl prop-2-enoate is C=CC(=O)OC(C)CCCCCCCCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 14-trichlorosilyltetradecan-2-yl prop-2-enoate?
The InChIKey is FZJHQCRABYWSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31Cl3O2Si/c1-3-17(21)22-16(2)14-12-10-8-6-4-5-7-9-11-13-15-23(18,19)20/h3,16H,1,4-15H2,2H3.
What are the key properties of 14-trichlorosilyltetradecan-2-yl prop-2-enoate?
14-trichlorosilyltetradecan-2-yl prop-2-enoate has a molecular weight of 401.88 g/mol, XLogP of 7.05, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-trichlorosilyltetradecan-2-yl prop-2-enoate is sourced from PubChem (CID 168864094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).