[(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane

C25H50OSi — CID 10927345

IUPAC[(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane
SMILESCCCCC/C=C/C/C=C/C(CCCCC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H50OSi/c1-9-11-13-14-15-16-17-19-21-25(20-18-12-10-2)26-27(22(3)4,23(5)6)24(7)8/h15-16,19,21-25H,9-14,17-18,20H2,1-8H3/b16-15+,21-19+
InChIKeySCMLKJUSGPCZLZ-MCRDVGPXSA-N
MW394.76 g/mol
LogP9.21
Rot. Bonds16

About [(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane

[(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane (PubChem CID 10927345) has the molecular formula C25H50OSi and a molecular weight of 394.76 g/mol. Its IUPAC name is [(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane
PubChem CID10927345
Molecular FormulaC25H50OSi
Molecular Weight394.76 g/mol
Exact Mass394.36
IUPAC Name[(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane
SMILESCCCCC/C=C/C/C=C/C(CCCCC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H50OSi/c1-9-11-13-14-15-16-17-19-21-25(20-18-12-10-2)26-27(22(3)4,23(5)6)24(7)8/h15-16,19,21-25H,9-14,17-18,20H2,1-8H3/b16-15+,21-19+
InChIKeySCMLKJUSGPCZLZ-MCRDVGPXSA-N
XLogP9.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.76
LogP ≤ 59.21
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

nonadeca-7,10,13-trien-2-ol
CID 54048695
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
(5E,8E)-tetradeca-5,8-diene
CID 13430684
heptadeca-5,8,11-triene
CID 54101473
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene
CID 173133183
(6Z,9Z,28Z,31Z)-N-methyl-N-[(9Z,12Z)-octadeca-9,12-dienyl]heptatriaconta-6,9,28,31-tetraen-19-amine
CID 134205277
19-propyltritriaconta-6,9,24-triene
CID 54372361
(11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid
CID 138183743
(9Z,12Z)-8-[(9Z,12Z)-nonadeca-9,12-dienoyl]oxyoctadeca-9,12-dienoic acid
CID 138201815
(9Z,12Z)-8-heptanoyloxynonadeca-9,12-dienoic acid
CID 138202238

Frequently Asked Questions

What is the IUPAC name of [(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane (CID 10927345) is [(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane is CCCCC/C=C/C/C=C/C(CCCCC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is SCMLKJUSGPCZLZ-MCRDVGPXSA-N. The full InChI is InChI=1S/C25H50OSi/c1-9-11-13-14-15-16-17-19-21-25(20-18-12-10-2)26-27(22(3)4,23(5)6)24(7)8/h15-16,19,21-25H,9-14,17-18,20H2,1-8H3/b16-15+,21-19+.
What are the key properties of [(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane?
[(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 394.76 g/mol, XLogP of 9.21, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 10927345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).