13-chlorosilyltridecyl prop-2-enoate

C16H31ClO2Si — CID 175525518

IUPAC13-chlorosilyltridecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCC[SiH2]Cl
InChIInChI=1S/C16H31ClO2Si/c1-2-16(18)19-14-12-10-8-6-4-3-5-7-9-11-13-15-20-17/h2H,1,3-15,20H2
InChIKeyOHVAQICQWVOAHE-UHFFFAOYSA-N
MW318.96 g/mol
LogP4.75
Rot. Bonds15

About 13-chlorosilyltridecyl prop-2-enoate

13-chlorosilyltridecyl prop-2-enoate (PubChem CID 175525518) has the molecular formula C16H31ClO2Si and a molecular weight of 318.96 g/mol. Its IUPAC name is 13-chlorosilyltridecyl prop-2-enoate.

Molecular Properties

Compound Name13-chlorosilyltridecyl prop-2-enoate
PubChem CID175525518
Molecular FormulaC16H31ClO2Si
Molecular Weight318.96 g/mol
Exact Mass318.18
IUPAC Name13-chlorosilyltridecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCC[SiH2]Cl
InChIInChI=1S/C16H31ClO2Si/c1-2-16(18)19-14-12-10-8-6-4-3-5-7-9-11-13-15-20-17/h2H,1,3-15,20H2
InChIKeyOHVAQICQWVOAHE-UHFFFAOYSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.96
LogP ≤ 54.75
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

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
14-(dichloromethylsilyl)tetradecyl prop-2-enoate
CID 172698392
6-methoxysilylhexyl prop-2-enoate
CID 150247885
4-(dichloromethylsilyl)butyl prop-2-enoate
CID 172852779
[(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate
CID 101145209
17-(trifluoromethylsilyl)heptadecyl prop-2-enoate
CID 175896025
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
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005

Frequently Asked Questions

What is the IUPAC name of 13-chlorosilyltridecyl prop-2-enoate?
The IUPAC name of 13-chlorosilyltridecyl prop-2-enoate (CID 175525518) is 13-chlorosilyltridecyl prop-2-enoate.
What is the SMILES notation for 13-chlorosilyltridecyl prop-2-enoate?
The canonical SMILES for 13-chlorosilyltridecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCCCC[SiH2]Cl.
What is the InChIKey of 13-chlorosilyltridecyl prop-2-enoate?
The InChIKey is OHVAQICQWVOAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31ClO2Si/c1-2-16(18)19-14-12-10-8-6-4-3-5-7-9-11-13-15-20-17/h2H,1,3-15,20H2.
What are the key properties of 13-chlorosilyltridecyl prop-2-enoate?
13-chlorosilyltridecyl prop-2-enoate has a molecular weight of 318.96 g/mol, XLogP of 4.75, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chlorosilyltridecyl prop-2-enoate is sourced from PubChem (CID 175525518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).