ethyl (6E,8E,10R)-10-methyl-13-trimethylsilyltrideca-6,8-dien-4,12-diynoate

C19H28O2Si — CID 58461591

IUPACethyl (6E,8E,10R)-10-methyl-13-trimethylsilyltrideca-6,8-dien-4,12-diynoate
SMILESCCOC(=O)CCC#C/C=C/C=C/[C@H](C)CC#C[Si](C)(C)C
InChIInChI=1S/C19H28O2Si/c1-6-21-19(20)16-12-10-8-7-9-11-14-18(2)15-13-17-22(3,4)5/h7,9,11,14,18H,6,12,15-16H2,1-5H3/b9-7+,14-11+/t18-/m0/s1
InChIKeyHTUUGZBKNYEPHV-MWRMJNJPSA-N
MW316.52 g/mol
LogP4.35
Rot. Bonds6

About ethyl (6E,8E,10R)-10-methyl-13-trimethylsilyltrideca-6,8-dien-4,12-diynoate

ethyl (6E,8E,10R)-10-methyl-13-trimethylsilyltrideca-6,8-dien-4,12-diynoate (PubChem CID 58461591) has the molecular formula C19H28O2Si and a molecular weight of 316.52 g/mol. Its IUPAC name is ethyl (6E,8E,10R)-10-methyl-13-trimethylsilyltrideca-6,8-dien-4,12-diynoate.

Molecular Properties

Compound Nameethyl (6E,8E,10R)-10-methyl-13-trimethylsilyltrideca-6,8-dien-4,12-diynoate
PubChem CID58461591
Molecular FormulaC19H28O2Si
Molecular Weight316.52 g/mol
Exact Mass316.19
IUPAC Nameethyl (6E,8E,10R)-10-methyl-13-trimethylsilyltrideca-6,8-dien-4,12-diynoate
SMILESCCOC(=O)CCC#C/C=C/C=C/[C@H](C)CC#C[Si](C)(C)C
InChIInChI=1S/C19H28O2Si/c1-6-21-19(20)16-12-10-8-7-9-11-14-18(2)15-13-17-22(3,4)5/h7,9,11,14,18H,6,12,15-16H2,1-5H3/b9-7+,14-11+/t18-/m0/s1
InChIKeyHTUUGZBKNYEPHV-MWRMJNJPSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.52
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (6E,8E,10R)-10-methyl-13-trimethylsilyltrideca-6,8-dien-4,12-diynoate?
The IUPAC name of ethyl (6E,8E,10R)-10-methyl-13-trimethylsilyltrideca-6,8-dien-4,12-diynoate (CID 58461591) is ethyl (6E,8E,10R)-10-methyl-13-trimethylsilyltrideca-6,8-dien-4,12-diynoate.
What is the SMILES notation for ethyl (6E,8E,10R)-10-methyl-13-trimethylsilyltrideca-6,8-dien-4,12-diynoate?
The canonical SMILES for ethyl (6E,8E,10R)-10-methyl-13-trimethylsilyltrideca-6,8-dien-4,12-diynoate is CCOC(=O)CCC#C/C=C/C=C/[C@H](C)CC#C[Si](C)(C)C.
What is the InChIKey of ethyl (6E,8E,10R)-10-methyl-13-trimethylsilyltrideca-6,8-dien-4,12-diynoate?
The InChIKey is HTUUGZBKNYEPHV-MWRMJNJPSA-N. The full InChI is InChI=1S/C19H28O2Si/c1-6-21-19(20)16-12-10-8-7-9-11-14-18(2)15-13-17-22(3,4)5/h7,9,11,14,18H,6,12,15-16H2,1-5H3/b9-7+,14-11+/t18-/m0/s1.
What are the key properties of ethyl (6E,8E,10R)-10-methyl-13-trimethylsilyltrideca-6,8-dien-4,12-diynoate?
ethyl (6E,8E,10R)-10-methyl-13-trimethylsilyltrideca-6,8-dien-4,12-diynoate has a molecular weight of 316.52 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6E,8E,10R)-10-methyl-13-trimethylsilyltrideca-6,8-dien-4,12-diynoate is sourced from PubChem (CID 58461591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).