3-[dimethyl(6-methylhept-6-en-2-yl)silyl]propyl prop-2-enoate

C16H30O2Si — CID 20631234

IUPAC3-[dimethyl(6-methylhept-6-en-2-yl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(C)C(C)CCCC(=C)C
InChIInChI=1S/C16H30O2Si/c1-7-16(17)18-12-9-13-19(5,6)15(4)11-8-10-14(2)3/h7,15H,1-2,8-13H2,3-6H3
InChIKeyGNVMIDYQHHOELP-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.95
Rot. Bonds10

About 3-[dimethyl(6-methylhept-6-en-2-yl)silyl]propyl prop-2-enoate

3-[dimethyl(6-methylhept-6-en-2-yl)silyl]propyl prop-2-enoate (PubChem CID 20631234) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 3-[dimethyl(6-methylhept-6-en-2-yl)silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[dimethyl(6-methylhept-6-en-2-yl)silyl]propyl prop-2-enoate
PubChem CID20631234
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name3-[dimethyl(6-methylhept-6-en-2-yl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(C)C(C)CCCC(=C)C
InChIInChI=1S/C16H30O2Si/c1-7-16(17)18-12-9-13-19(5,6)15(4)11-8-10-14(2)3/h7,15H,1-2,8-13H2,3-6H3
InChIKeyGNVMIDYQHHOELP-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.95
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(Triallylsilyl)propyl Methacrylate (stabilized with MEHQ)
CID 125401955
Prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate
CID 44817642
Methyl 2-trimethylsilyltetradeca-2,3,13-trienoate
CID 154710374
2-[Dimethyl(4-methylpent-4-enyl)silyl]oxyethyl prop-2-enoate
CID 20631232
4-Triethoxysilylhex-5-enyl 2-methylprop-2-enoate
CID 23205841
3-Triethoxysilylpropyl 2-methylprop-2-enoate;trimethoxy(oct-7-enyl)silane
CID 87841309
3-tris[(E)-hept-2-enyl]silylpropyl 2-methylprop-2-enoate
CID 141718470
5-Trimethylsilylpent-4-enyl 2-methylprop-2-enoate
CID 150534360
3-Dimethylsilylpent-4-enyl 2-methylprop-2-enoate
CID 150903241
5-Dimethylsilylpent-4-enyl 2-methylprop-2-enoate
CID 154101378
3-Penta-1,4-dien-3-ylsilylpropyl 2-methylprop-2-enoate
CID 154198440
Chloro-dimethyl-oct-7-en-2-ylsilane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;chloro-hex-5-enyl-dimethylsilane;chlorosilane
CID 161328067

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(6-methylhept-6-en-2-yl)silyl]propyl prop-2-enoate?
The IUPAC name of 3-[dimethyl(6-methylhept-6-en-2-yl)silyl]propyl prop-2-enoate (CID 20631234) is 3-[dimethyl(6-methylhept-6-en-2-yl)silyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[dimethyl(6-methylhept-6-en-2-yl)silyl]propyl prop-2-enoate?
The canonical SMILES for 3-[dimethyl(6-methylhept-6-en-2-yl)silyl]propyl prop-2-enoate is C=CC(=O)OCCC[Si](C)(C)C(C)CCCC(=C)C.
What is the InChIKey of 3-[dimethyl(6-methylhept-6-en-2-yl)silyl]propyl prop-2-enoate?
The InChIKey is GNVMIDYQHHOELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-7-16(17)18-12-9-13-19(5,6)15(4)11-8-10-14(2)3/h7,15H,1-2,8-13H2,3-6H3.
What are the key properties of 3-[dimethyl(6-methylhept-6-en-2-yl)silyl]propyl prop-2-enoate?
3-[dimethyl(6-methylhept-6-en-2-yl)silyl]propyl prop-2-enoate has a molecular weight of 282.50 g/mol, XLogP of 4.95, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(6-methylhept-6-en-2-yl)silyl]propyl prop-2-enoate is sourced from PubChem (CID 20631234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).