2-(trimethylsilylmethyl)tetradeca-1,13-dien-4-yl acetate

C20H38O2Si — CID 12841786

IUPAC2-(trimethylsilylmethyl)tetradeca-1,13-dien-4-yl acetate
SMILESC=CCCCCCCCCC(CC(=C)C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C20H38O2Si/c1-7-8-9-10-11-12-13-14-15-20(22-19(3)21)16-18(2)17-23(4,5)6/h7,20H,1-2,8-17H2,3-6H3
InChIKeyLYXRYLKYUCFMQT-UHFFFAOYSA-N
MW338.61 g/mol
LogP6.51
Rot. Bonds14

About 2-(trimethylsilylmethyl)tetradeca-1,13-dien-4-yl acetate

2-(trimethylsilylmethyl)tetradeca-1,13-dien-4-yl acetate (PubChem CID 12841786) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is 2-(trimethylsilylmethyl)tetradeca-1,13-dien-4-yl acetate.

Molecular Properties

Compound Name2-(trimethylsilylmethyl)tetradeca-1,13-dien-4-yl acetate
PubChem CID12841786
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name2-(trimethylsilylmethyl)tetradeca-1,13-dien-4-yl acetate
SMILESC=CCCCCCCCCC(CC(=C)C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C20H38O2Si/c1-7-8-9-10-11-12-13-14-15-20(22-19(3)21)16-18(2)17-23(4,5)6/h7,20H,1-2,8-17H2,3-6H3
InChIKeyLYXRYLKYUCFMQT-UHFFFAOYSA-N
XLogP6.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.51
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'}

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Related Compounds

Ethyl (3R,6S)-6-(triisopropylsiloxy)-3,4-tridecadienoate
CID 11825755
[(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate
CID 100968593
[(E)-1-triethylsilyldec-1-en-3-yl] acetate
CID 101544369
(5E,8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-1-oxacyclotetradec-5-en-2-one
CID 10862501
ethyl (E)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enoate
CID 10071970
ethyl (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enoate
CID 10478458
Undec-10-enyl 2-trimethylsilylacetate
CID 88523333
4-Acetoxy-1-pentadecene
CID 118976727
7-[Tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate
CID 139889078
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate
CID 140738641
18-[Tert-butyl(dimethyl)silyl]oxyoctadec-9-en-7-yl hexanoate
CID 162391428
18-[tert-butyl(dimethyl)silyl]oxyoctadec-9-en-7-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 162391434

Frequently Asked Questions

What is the IUPAC name of 2-(trimethylsilylmethyl)tetradeca-1,13-dien-4-yl acetate?
The IUPAC name of 2-(trimethylsilylmethyl)tetradeca-1,13-dien-4-yl acetate (CID 12841786) is 2-(trimethylsilylmethyl)tetradeca-1,13-dien-4-yl acetate.
What is the SMILES notation for 2-(trimethylsilylmethyl)tetradeca-1,13-dien-4-yl acetate?
The canonical SMILES for 2-(trimethylsilylmethyl)tetradeca-1,13-dien-4-yl acetate is C=CCCCCCCCCC(CC(=C)C[Si](C)(C)C)OC(C)=O.
What is the InChIKey of 2-(trimethylsilylmethyl)tetradeca-1,13-dien-4-yl acetate?
The InChIKey is LYXRYLKYUCFMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-7-8-9-10-11-12-13-14-15-20(22-19(3)21)16-18(2)17-23(4,5)6/h7,20H,1-2,8-17H2,3-6H3.
What are the key properties of 2-(trimethylsilylmethyl)tetradeca-1,13-dien-4-yl acetate?
2-(trimethylsilylmethyl)tetradeca-1,13-dien-4-yl acetate has a molecular weight of 338.61 g/mol, XLogP of 6.51, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethylsilylmethyl)tetradeca-1,13-dien-4-yl acetate is sourced from PubChem (CID 12841786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).