14-(dichloromethylsilyl)tetradecyl prop-2-enoate

C18H34Cl2O2Si — CID 172698392

IUPAC14-(dichloromethylsilyl)tetradecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCCC[SiH2]C(Cl)Cl
InChIInChI=1S/C18H34Cl2O2Si/c1-2-17(21)22-15-13-11-9-7-5-3-4-6-8-10-12-14-16-23-18(19)20/h2,18H,1,3-16,23H2
InChIKeyCPYXZJZHLPTZAO-UHFFFAOYSA-N
MW381.46 g/mol
LogP5.75
Rot. Bonds17

About 14-(dichloromethylsilyl)tetradecyl prop-2-enoate

14-(dichloromethylsilyl)tetradecyl prop-2-enoate (PubChem CID 172698392) has the molecular formula C18H34Cl2O2Si and a molecular weight of 381.46 g/mol. Its IUPAC name is 14-(dichloromethylsilyl)tetradecyl prop-2-enoate.

Molecular Properties

Compound Name14-(dichloromethylsilyl)tetradecyl prop-2-enoate
PubChem CID172698392
Molecular FormulaC18H34Cl2O2Si
Molecular Weight381.46 g/mol
Exact Mass380.17
IUPAC Name14-(dichloromethylsilyl)tetradecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCCC[SiH2]C(Cl)Cl
InChIInChI=1S/C18H34Cl2O2Si/c1-2-17(21)22-15-13-11-9-7-5-3-4-6-8-10-12-14-16-23-18(19)20/h2,18H,1,3-16,23H2
InChIKeyCPYXZJZHLPTZAO-UHFFFAOYSA-N
XLogP5.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 55.75
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

4-(dichloromethylsilyl)butyl prop-2-enoate
CID 172852779
13-chlorosilyltridecyl prop-2-enoate
CID 175525518
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
7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate
CID 172804867
3-(dichloromethylsilyl)propyl but-2-enoate
CID 123765087
6-methoxysilylhexyl prop-2-enoate
CID 150247885
17-(trifluoromethylsilyl)heptadecyl prop-2-enoate
CID 175896025
CID 156681244
CID 156681244
5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate
CID 154270296
12-hydroxydodecyl prop-2-enoate
CID 19859974
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338

Frequently Asked Questions

What is the IUPAC name of 14-(dichloromethylsilyl)tetradecyl prop-2-enoate?
The IUPAC name of 14-(dichloromethylsilyl)tetradecyl prop-2-enoate (CID 172698392) is 14-(dichloromethylsilyl)tetradecyl prop-2-enoate.
What is the SMILES notation for 14-(dichloromethylsilyl)tetradecyl prop-2-enoate?
The canonical SMILES for 14-(dichloromethylsilyl)tetradecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCCCCC[SiH2]C(Cl)Cl.
What is the InChIKey of 14-(dichloromethylsilyl)tetradecyl prop-2-enoate?
The InChIKey is CPYXZJZHLPTZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34Cl2O2Si/c1-2-17(21)22-15-13-11-9-7-5-3-4-6-8-10-12-14-16-23-18(19)20/h2,18H,1,3-16,23H2.
What are the key properties of 14-(dichloromethylsilyl)tetradecyl prop-2-enoate?
14-(dichloromethylsilyl)tetradecyl prop-2-enoate has a molecular weight of 381.46 g/mol, XLogP of 5.75, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(dichloromethylsilyl)tetradecyl prop-2-enoate is sourced from PubChem (CID 172698392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).