[(E)-hexadec-10-en-12-ynoxy]-trimethylsilane

C19H36OSi — CID 15933165

IUPAC[(E)-hexadec-10-en-12-ynoxy]-trimethylsilane
SMILESCCCC#C/C=C/CCCCCCCCCO[Si](C)(C)C
InChIInChI=1S/C19H36OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4/h9-10H,5-6,11-19H2,1-4H3/b10-9+
InChIKeyQISZAESFLANSGC-MDZDMXLPSA-N
MW308.58 g/mol
LogP6.32
Rot. Bonds12

About [(E)-hexadec-10-en-12-ynoxy]-trimethylsilane

[(E)-hexadec-10-en-12-ynoxy]-trimethylsilane (PubChem CID 15933165) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is [(E)-hexadec-10-en-12-ynoxy]-trimethylsilane.

Molecular Properties

Compound Name[(E)-hexadec-10-en-12-ynoxy]-trimethylsilane
PubChem CID15933165
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name[(E)-hexadec-10-en-12-ynoxy]-trimethylsilane
SMILESCCCC#C/C=C/CCCCCCCCCO[Si](C)(C)C
InChIInChI=1S/C19H36OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4/h9-10H,5-6,11-19H2,1-4H3/b10-9+
InChIKeyQISZAESFLANSGC-MDZDMXLPSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-Triethylsilyloxyundec-10-ene
CID 568575
Silane, [(7E)-7-dodecen-9-yn-1-yloxy]trimethyl-
CID 6436840
Octadec-9Z-enol trimethylsilyl ether
CID 5366884
Trimethyl(9-octadecenyloxy)-silane
CID 554435
Linoleyl alcohol tms ether
CID 15635192
Trimethyl((9Z,11E)-9,11-tetradecadien-1-yloxy)silane
CID 20838897
11-(Dimethyldodecylsilyloxy)undec-1-ene
CID 531763
cis-9-octadecenol, tBDMS
CID 6430273
Silane, dimethyl(dec-4-enyloxy)heptyloxy-
CID 91694498
Silane, dimethyl(dec-4-enyloxy)decyloxy-
CID 91694499
Silane, dimethyl(dec-4-enyloxy)hexyloxy-
CID 91694588
Silane, dimethyl(dec-4-enyloxy)octyloxy-
CID 91694589

Frequently Asked Questions

What is the IUPAC name of [(E)-hexadec-10-en-12-ynoxy]-trimethylsilane?
The IUPAC name of [(E)-hexadec-10-en-12-ynoxy]-trimethylsilane (CID 15933165) is [(E)-hexadec-10-en-12-ynoxy]-trimethylsilane.
What is the SMILES notation for [(E)-hexadec-10-en-12-ynoxy]-trimethylsilane?
The canonical SMILES for [(E)-hexadec-10-en-12-ynoxy]-trimethylsilane is CCCC#C/C=C/CCCCCCCCCO[Si](C)(C)C.
What is the InChIKey of [(E)-hexadec-10-en-12-ynoxy]-trimethylsilane?
The InChIKey is QISZAESFLANSGC-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H36OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4/h9-10H,5-6,11-19H2,1-4H3/b10-9+.
What are the key properties of [(E)-hexadec-10-en-12-ynoxy]-trimethylsilane?
[(E)-hexadec-10-en-12-ynoxy]-trimethylsilane has a molecular weight of 308.58 g/mol, XLogP of 6.32, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hexadec-10-en-12-ynoxy]-trimethylsilane is sourced from PubChem (CID 15933165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).