triethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane

C16H30OSi — CID 11565216

IUPACtriethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane
SMILESC=CC[C@H](C)/C=C(/C=C/C)O[Si](CC)(CC)CC
InChIInChI=1S/C16H30OSi/c1-7-12-15(6)14-16(13-8-2)17-18(9-3,10-4)11-5/h7-8,13-15H,1,9-12H2,2-6H3/b13-8+,16-14-/t15-/m0/s1
InChIKeyAYESZNHSDNRTCJ-YLCRQNSCSA-N
MW266.50 g/mol
LogP5.68
Rot. Bonds9

About triethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane

triethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane (PubChem CID 11565216) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is triethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane
PubChem CID11565216
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametriethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane
SMILESC=CC[C@H](C)/C=C(/C=C/C)O[Si](CC)(CC)CC
InChIInChI=1S/C16H30OSi/c1-7-12-15(6)14-16(13-8-2)17-18(9-3,10-4)11-5/h7-8,13-15H,1,9-12H2,2-6H3/b13-8+,16-14-/t15-/m0/s1
InChIKeyAYESZNHSDNRTCJ-YLCRQNSCSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane?
The IUPAC name of triethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane (CID 11565216) is triethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane?
The canonical SMILES for triethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane is C=CC[C@H](C)/C=C(/C=C/C)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane?
The InChIKey is AYESZNHSDNRTCJ-YLCRQNSCSA-N. The full InChI is InChI=1S/C16H30OSi/c1-7-12-15(6)14-16(13-8-2)17-18(9-3,10-4)11-5/h7-8,13-15H,1,9-12H2,2-6H3/b13-8+,16-14-/t15-/m0/s1.
What are the key properties of triethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane?
triethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane has a molecular weight of 266.50 g/mol, XLogP of 5.68, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane is sourced from PubChem (CID 11565216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).