2,2-dimethyltridecan-3-yl ethenyl carbonate;ethenyl 2-trimethylsilylethyl carbonate

C26H50O6Si — CID 158779925

IUPAC2,2-dimethyltridecan-3-yl ethenyl carbonate;ethenyl 2-trimethylsilylethyl carbonate
SMILESC=COC(=O)OC(CCCCCCCCCC)C(C)(C)C.C=COC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C18H34O3.C8H16O3Si/c1-6-8-9-10-11-12-13-14-15-16(18(3,4)5)21-17(19)20-7-2;1-5-10-8(9)11-6-7-12(2,3)4/h7,16H,2,6,8-15H2,1,3-5H3;5H,1,6-7H2,2-4H3
InChIKeyIQYDSYHNWHWHNP-UHFFFAOYSA-N
MW486.77 g/mol
LogP8.85
Rot. Bonds15

About 2,2-dimethyltridecan-3-yl ethenyl carbonate;ethenyl 2-trimethylsilylethyl carbonate

2,2-dimethyltridecan-3-yl ethenyl carbonate;ethenyl 2-trimethylsilylethyl carbonate (PubChem CID 158779925) has the molecular formula C26H50O6Si and a molecular weight of 486.77 g/mol. Its IUPAC name is 2,2-dimethyltridecan-3-yl ethenyl carbonate;ethenyl 2-trimethylsilylethyl carbonate.

Molecular Properties

Compound Name2,2-dimethyltridecan-3-yl ethenyl carbonate;ethenyl 2-trimethylsilylethyl carbonate
PubChem CID158779925
Molecular FormulaC26H50O6Si
Molecular Weight486.77 g/mol
Exact Mass486.34
IUPAC Name2,2-dimethyltridecan-3-yl ethenyl carbonate;ethenyl 2-trimethylsilylethyl carbonate
SMILESC=COC(=O)OC(CCCCCCCCCC)C(C)(C)C.C=COC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C18H34O3.C8H16O3Si/c1-6-8-9-10-11-12-13-14-15-16(18(3,4)5)21-17(19)20-7-2;1-5-10-8(9)11-6-7-12(2,3)4/h7,16H,2,6,8-15H2,1,3-5H3;5H,1,6-7H2,2-4H3
InChIKeyIQYDSYHNWHWHNP-UHFFFAOYSA-N
XLogP8.85
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.77
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethenyl undecyl carbonate
CID 91692931
ethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate
CID 174958071
octyl 2-trimethylsilylethyl carbonate
CID 172701355
ethenyl 2-octyldecanoate
CID 88608702
2,2-dimethylheptan-3-yl carbamate
CID 175434709
2-ethenoxycarbonyloxyethyl-dimethyl-pentylazanium
CID 123168561
2-trimethylsilylethyl heptanoate
CID 141105261
ethenyl 2-acetyloctadecanoate
CID 140533997
2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl ethenyl carbonate
CID 58104910
(2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid
CID 162340818
2-trimethylsilylethyl [hexyl(dimethyl)silyl]formate
CID 87902808
ethyl 1,1,1-trichlorooctan-2-yl carbonate
CID 121219830

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyltridecan-3-yl ethenyl carbonate;ethenyl 2-trimethylsilylethyl carbonate?
The IUPAC name of 2,2-dimethyltridecan-3-yl ethenyl carbonate;ethenyl 2-trimethylsilylethyl carbonate (CID 158779925) is 2,2-dimethyltridecan-3-yl ethenyl carbonate;ethenyl 2-trimethylsilylethyl carbonate.
What is the SMILES notation for 2,2-dimethyltridecan-3-yl ethenyl carbonate;ethenyl 2-trimethylsilylethyl carbonate?
The canonical SMILES for 2,2-dimethyltridecan-3-yl ethenyl carbonate;ethenyl 2-trimethylsilylethyl carbonate is C=COC(=O)OC(CCCCCCCCCC)C(C)(C)C.C=COC(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2,2-dimethyltridecan-3-yl ethenyl carbonate;ethenyl 2-trimethylsilylethyl carbonate?
The InChIKey is IQYDSYHNWHWHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3.C8H16O3Si/c1-6-8-9-10-11-12-13-14-15-16(18(3,4)5)21-17(19)20-7-2;1-5-10-8(9)11-6-7-12(2,3)4/h7,16H,2,6,8-15H2,1,3-5H3;5H,1,6-7H2,2-4H3.
What are the key properties of 2,2-dimethyltridecan-3-yl ethenyl carbonate;ethenyl 2-trimethylsilylethyl carbonate?
2,2-dimethyltridecan-3-yl ethenyl carbonate;ethenyl 2-trimethylsilylethyl carbonate has a molecular weight of 486.77 g/mol, XLogP of 8.85, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyltridecan-3-yl ethenyl carbonate;ethenyl 2-trimethylsilylethyl carbonate is sourced from PubChem (CID 158779925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).