2-[bis(trimethylsilyl)methyl]hept-1-en-4-yl 2,2-dimethylpropanoate

C19H40O2Si2 — CID 102220130

IUPAC2-[bis(trimethylsilyl)methyl]hept-1-en-4-yl 2,2-dimethylpropanoate
SMILESC=C(CC(CCC)OC(=O)C(C)(C)C)C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H40O2Si2/c1-12-13-16(21-18(20)19(3,4)5)14-15(2)17(22(6,7)8)23(9,10)11/h16-17H,2,12-14H2,1,3-11H3
InChIKeyIHXBBAVUWWVTEB-UHFFFAOYSA-N
MW356.70 g/mol
LogP6.28
Rot. Bonds8

About 2-[bis(trimethylsilyl)methyl]hept-1-en-4-yl 2,2-dimethylpropanoate

2-[bis(trimethylsilyl)methyl]hept-1-en-4-yl 2,2-dimethylpropanoate (PubChem CID 102220130) has the molecular formula C19H40O2Si2 and a molecular weight of 356.70 g/mol. Its IUPAC name is 2-[bis(trimethylsilyl)methyl]hept-1-en-4-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[bis(trimethylsilyl)methyl]hept-1-en-4-yl 2,2-dimethylpropanoate
PubChem CID102220130
Molecular FormulaC19H40O2Si2
Molecular Weight356.70 g/mol
Exact Mass356.26
IUPAC Name2-[bis(trimethylsilyl)methyl]hept-1-en-4-yl 2,2-dimethylpropanoate
SMILESC=C(CC(CCC)OC(=O)C(C)(C)C)C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H40O2Si2/c1-12-13-16(21-18(20)19(3,4)5)14-15(2)17(22(6,7)8)23(9,10)11/h16-17H,2,12-14H2,1,3-11H3
InChIKeyIHXBBAVUWWVTEB-UHFFFAOYSA-N
XLogP6.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.70
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate
CID 100968593
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate
CID 140738641
[4-[Tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate
CID 173579927
[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate
CID 10875838
[(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate
CID 11233669
2-(Trimethylsilylmethyl)dodec-1-en-5-yl acetate
CID 12841784
[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate
CID 15442530
[(7Z)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate
CID 177555111

Frequently Asked Questions

What is the IUPAC name of 2-[bis(trimethylsilyl)methyl]hept-1-en-4-yl 2,2-dimethylpropanoate?
The IUPAC name of 2-[bis(trimethylsilyl)methyl]hept-1-en-4-yl 2,2-dimethylpropanoate (CID 102220130) is 2-[bis(trimethylsilyl)methyl]hept-1-en-4-yl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[bis(trimethylsilyl)methyl]hept-1-en-4-yl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[bis(trimethylsilyl)methyl]hept-1-en-4-yl 2,2-dimethylpropanoate is C=C(CC(CCC)OC(=O)C(C)(C)C)C([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2-[bis(trimethylsilyl)methyl]hept-1-en-4-yl 2,2-dimethylpropanoate?
The InChIKey is IHXBBAVUWWVTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2Si2/c1-12-13-16(21-18(20)19(3,4)5)14-15(2)17(22(6,7)8)23(9,10)11/h16-17H,2,12-14H2,1,3-11H3.
What are the key properties of 2-[bis(trimethylsilyl)methyl]hept-1-en-4-yl 2,2-dimethylpropanoate?
2-[bis(trimethylsilyl)methyl]hept-1-en-4-yl 2,2-dimethylpropanoate has a molecular weight of 356.70 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(trimethylsilyl)methyl]hept-1-en-4-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 102220130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).