dodecyl 2-trimethylsilylprop-2-enoate

C18H36O2Si — CID 139634239

IUPACdodecyl 2-trimethylsilylprop-2-enoate
SMILESC=C(C(=O)OCCCCCCCCCCCC)[Si](C)(C)C
InChIInChI=1S/C18H36O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)21(3,4)5/h2,6-16H2,1,3-5H3
InChIKeyXFDJQYGNHSOROE-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.88
Rot. Bonds13

About dodecyl 2-trimethylsilylprop-2-enoate

dodecyl 2-trimethylsilylprop-2-enoate (PubChem CID 139634239) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is dodecyl 2-trimethylsilylprop-2-enoate.

Molecular Properties

Compound Namedodecyl 2-trimethylsilylprop-2-enoate
PubChem CID139634239
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Namedodecyl 2-trimethylsilylprop-2-enoate
SMILESC=C(C(=O)OCCCCCCCCCCCC)[Si](C)(C)C
InChIInChI=1S/C18H36O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)21(3,4)5/h2,6-16H2,1,3-5H3
InChIKeyXFDJQYGNHSOROE-UHFFFAOYSA-N
XLogP5.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.88
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'}

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Related Compounds

dioctyl 2,3-dimethylidenebutanedioate
CID 140613144
1-O-decyl 4-O-octyl 2,3-dimethylidenebutanedioate
CID 139708320
tetradecyl 2-sulfanylprop-2-enoate
CID 150466846
ditridecyl oxalate
CID 18377796
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
tetradecyl 2-chloroprop-2-enoate
CID 54118378
methane;nonyl 2-methylprop-2-enoate
CID 174847930
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-trimethylsilylprop-2-enoate?
The IUPAC name of dodecyl 2-trimethylsilylprop-2-enoate (CID 139634239) is dodecyl 2-trimethylsilylprop-2-enoate.
What is the SMILES notation for dodecyl 2-trimethylsilylprop-2-enoate?
The canonical SMILES for dodecyl 2-trimethylsilylprop-2-enoate is C=C(C(=O)OCCCCCCCCCCCC)[Si](C)(C)C.
What is the InChIKey of dodecyl 2-trimethylsilylprop-2-enoate?
The InChIKey is XFDJQYGNHSOROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)21(3,4)5/h2,6-16H2,1,3-5H3.
What are the key properties of dodecyl 2-trimethylsilylprop-2-enoate?
dodecyl 2-trimethylsilylprop-2-enoate has a molecular weight of 312.57 g/mol, XLogP of 5.88, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-trimethylsilylprop-2-enoate is sourced from PubChem (CID 139634239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).