methyl-[(E)-oct-2-enyl]-dioctylsilane

C25H52Si — CID 173411896

IUPACmethyl-[(E)-oct-2-enyl]-dioctylsilane
SMILESCCCCC/C=C/C[Si](C)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C25H52Si/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h17,20H,5-16,18-19,21-25H2,1-4H3/b20-17+
InChIKeyUEBVOBXIEJRRSN-LVZFUZTISA-N
MW380.78 g/mol
LogP9.92
Rot. Bonds20

About methyl-[(E)-oct-2-enyl]-dioctylsilane

methyl-[(E)-oct-2-enyl]-dioctylsilane (PubChem CID 173411896) has the molecular formula C25H52Si and a molecular weight of 380.78 g/mol. Its IUPAC name is methyl-[(E)-oct-2-enyl]-dioctylsilane.

Molecular Properties

Compound Namemethyl-[(E)-oct-2-enyl]-dioctylsilane
PubChem CID173411896
Molecular FormulaC25H52Si
Molecular Weight380.78 g/mol
Exact Mass380.38
IUPAC Namemethyl-[(E)-oct-2-enyl]-dioctylsilane
SMILESCCCCC/C=C/C[Si](C)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C25H52Si/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h17,20H,5-16,18-19,21-25H2,1-4H3/b20-17+
InChIKeyUEBVOBXIEJRRSN-LVZFUZTISA-N
XLogP9.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.78
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

dec-2-enyl-methyl-nonyl-octylsilane
CID 173411847
didecyl-methyl-oct-6-enylsilane
CID 54351323
heptadeca-5,9-diene
CID 123203573
(5E,9E)-nonacosa-5,9-diene
CID 56936191
(Z)-tricos-11-ene
CID 5356790
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
(24Z)-hexatriaconta-9,24-diene
CID 173127472
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239

Frequently Asked Questions

What is the IUPAC name of methyl-[(E)-oct-2-enyl]-dioctylsilane?
The IUPAC name of methyl-[(E)-oct-2-enyl]-dioctylsilane (CID 173411896) is methyl-[(E)-oct-2-enyl]-dioctylsilane.
What is the SMILES notation for methyl-[(E)-oct-2-enyl]-dioctylsilane?
The canonical SMILES for methyl-[(E)-oct-2-enyl]-dioctylsilane is CCCCC/C=C/C[Si](C)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of methyl-[(E)-oct-2-enyl]-dioctylsilane?
The InChIKey is UEBVOBXIEJRRSN-LVZFUZTISA-N. The full InChI is InChI=1S/C25H52Si/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h17,20H,5-16,18-19,21-25H2,1-4H3/b20-17+.
What are the key properties of methyl-[(E)-oct-2-enyl]-dioctylsilane?
methyl-[(E)-oct-2-enyl]-dioctylsilane has a molecular weight of 380.78 g/mol, XLogP of 9.92, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(E)-oct-2-enyl]-dioctylsilane is sourced from PubChem (CID 173411896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).