15-[bis(bromomethyl)silyl]pentadecyl prop-2-enoate

C20H38Br2O2Si — CID 175895989

IUPAC15-[bis(bromomethyl)silyl]pentadecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCCCC[SiH](CBr)CBr
InChIInChI=1S/C20H38Br2O2Si/c1-2-20(23)24-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-25(18-21)19-22/h2,25H,1,3-19H2
InChIKeyVTCSOTWVZWGSEH-UHFFFAOYSA-N
MW498.42 g/mol
LogP6.88
Rot. Bonds19

About 15-[bis(bromomethyl)silyl]pentadecyl prop-2-enoate

15-[bis(bromomethyl)silyl]pentadecyl prop-2-enoate (PubChem CID 175895989) has the molecular formula C20H38Br2O2Si and a molecular weight of 498.42 g/mol. Its IUPAC name is 15-[bis(bromomethyl)silyl]pentadecyl prop-2-enoate.

Molecular Properties

Compound Name15-[bis(bromomethyl)silyl]pentadecyl prop-2-enoate
PubChem CID175895989
Molecular FormulaC20H38Br2O2Si
Molecular Weight498.42 g/mol
Exact Mass496.10
IUPAC Name15-[bis(bromomethyl)silyl]pentadecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCCCC[SiH](CBr)CBr
InChIInChI=1S/C20H38Br2O2Si/c1-2-20(23)24-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-25(18-21)19-22/h2,25H,1,3-19H2
InChIKeyVTCSOTWVZWGSEH-UHFFFAOYSA-N
XLogP6.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.42
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-hydroxydecyl prop-2-enoate
CID 14715958
11-hydroxyundecyl prop-2-enoate
CID 54223498
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
4-prop-2-enoyloxybutyl 6-hydroxyhexanoate
CID 141175225
11-fluoroundecyl prop-2-enoate
CID 88673047
14-fluorotetradecyl prop-2-enoate
CID 142675259
calcium;hydride;4-hydroxybutyl prop-2-enoate
CID 175269190
5-[ethoxymethyl(ethyl)silyl]pentyl prop-2-enoate
CID 154350386
5-[ethoxymethyl(propyl)silyl]pentyl prop-2-enoate
CID 154294762

Frequently Asked Questions

What is the IUPAC name of 15-[bis(bromomethyl)silyl]pentadecyl prop-2-enoate?
The IUPAC name of 15-[bis(bromomethyl)silyl]pentadecyl prop-2-enoate (CID 175895989) is 15-[bis(bromomethyl)silyl]pentadecyl prop-2-enoate.
What is the SMILES notation for 15-[bis(bromomethyl)silyl]pentadecyl prop-2-enoate?
The canonical SMILES for 15-[bis(bromomethyl)silyl]pentadecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCCCCCC[SiH](CBr)CBr.
What is the InChIKey of 15-[bis(bromomethyl)silyl]pentadecyl prop-2-enoate?
The InChIKey is VTCSOTWVZWGSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38Br2O2Si/c1-2-20(23)24-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-25(18-21)19-22/h2,25H,1,3-19H2.
What are the key properties of 15-[bis(bromomethyl)silyl]pentadecyl prop-2-enoate?
15-[bis(bromomethyl)silyl]pentadecyl prop-2-enoate has a molecular weight of 498.42 g/mol, XLogP of 6.88, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[bis(bromomethyl)silyl]pentadecyl prop-2-enoate is sourced from PubChem (CID 175895989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).