ethyl 8-trimethylsilylocta-2,3-dien-7-ynyl carbonate

C14H22O3Si — CID 15459007

IUPACethyl 8-trimethylsilylocta-2,3-dien-7-ynyl carbonate
SMILESCCOC(=O)OCC=C=CCCC#C[Si](C)(C)C
InChIInChI=1S/C14H22O3Si/c1-5-16-14(15)17-12-10-8-6-7-9-11-13-18(2,3)4/h6,10H,5,7,9,12H2,1-4H3
InChIKeyZTTRWIKNBPSFEX-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.53
Rot. Bonds5

About ethyl 8-trimethylsilylocta-2,3-dien-7-ynyl carbonate

ethyl 8-trimethylsilylocta-2,3-dien-7-ynyl carbonate (PubChem CID 15459007) has the molecular formula C14H22O3Si and a molecular weight of 266.41 g/mol. Its IUPAC name is ethyl 8-trimethylsilylocta-2,3-dien-7-ynyl carbonate.

Molecular Properties

Compound Nameethyl 8-trimethylsilylocta-2,3-dien-7-ynyl carbonate
PubChem CID15459007
Molecular FormulaC14H22O3Si
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Nameethyl 8-trimethylsilylocta-2,3-dien-7-ynyl carbonate
SMILESCCOC(=O)OCC=C=CCCC#C[Si](C)(C)C
InChIInChI=1S/C14H22O3Si/c1-5-16-14(15)17-12-10-8-6-7-9-11-13-18(2,3)4/h6,10H,5,7,9,12H2,1-4H3
InChIKeyZTTRWIKNBPSFEX-UHFFFAOYSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-oxoethyl carbonate
CID 87169722
diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 11460565
CID 175796855
CID 175796855
acetylene;diethyl carbonate
CID 87073597
magnesium;diethyl carbonate;hydride
CID 173249173
[(Z)-4-ethoxycarbonyloxybut-2-enyl] acetate
CID 11127322
methyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate
CID 88784591
ethoxycarbonyloxymethoxymethyl ethyl carbonate
CID 142756637
diethyl carbonate;ethane-1,2-diol
CID 19764063
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
[(E)-4-ethoxycarbonyloxy-2-methylbut-2-enyl] ethyl carbonate
CID 101011566
ethyl [(E)-4-methylpent-2-enyl] carbonate
CID 101429850

Frequently Asked Questions

What is the IUPAC name of ethyl 8-trimethylsilylocta-2,3-dien-7-ynyl carbonate?
The IUPAC name of ethyl 8-trimethylsilylocta-2,3-dien-7-ynyl carbonate (CID 15459007) is ethyl 8-trimethylsilylocta-2,3-dien-7-ynyl carbonate.
What is the SMILES notation for ethyl 8-trimethylsilylocta-2,3-dien-7-ynyl carbonate?
The canonical SMILES for ethyl 8-trimethylsilylocta-2,3-dien-7-ynyl carbonate is CCOC(=O)OCC=C=CCCC#C[Si](C)(C)C.
What is the InChIKey of ethyl 8-trimethylsilylocta-2,3-dien-7-ynyl carbonate?
The InChIKey is ZTTRWIKNBPSFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3Si/c1-5-16-14(15)17-12-10-8-6-7-9-11-13-18(2,3)4/h6,10H,5,7,9,12H2,1-4H3.
What are the key properties of ethyl 8-trimethylsilylocta-2,3-dien-7-ynyl carbonate?
ethyl 8-trimethylsilylocta-2,3-dien-7-ynyl carbonate has a molecular weight of 266.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-trimethylsilylocta-2,3-dien-7-ynyl carbonate is sourced from PubChem (CID 15459007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).