[(1E)-7-methylocta-1,6-dienoxy]-tri(propan-2-yl)silane

C18H36OSi — CID 15633720

IUPAC[(1E)-7-methylocta-1,6-dienoxy]-tri(propan-2-yl)silane
SMILESCC(C)=CCCC/C=C/O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36OSi/c1-15(2)13-11-9-10-12-14-19-20(16(3)4,17(5)6)18(7)8/h12-14,16-18H,9-11H2,1-8H3/b14-12+
InChIKeyCTSJZQNMZQJDQJ-WYMLVPIESA-N
MW296.57 g/mol
LogP6.83
Rot. Bonds9

About [(1E)-7-methylocta-1,6-dienoxy]-tri(propan-2-yl)silane

[(1E)-7-methylocta-1,6-dienoxy]-tri(propan-2-yl)silane (PubChem CID 15633720) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is [(1E)-7-methylocta-1,6-dienoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1E)-7-methylocta-1,6-dienoxy]-tri(propan-2-yl)silane
PubChem CID15633720
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Name[(1E)-7-methylocta-1,6-dienoxy]-tri(propan-2-yl)silane
SMILESCC(C)=CCCC/C=C/O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36OSi/c1-15(2)13-11-9-10-12-14-19-20(16(3)4,17(5)6)18(7)8/h12-14,16-18H,9-11H2,1-8H3/b14-12+
InChIKeyCTSJZQNMZQJDQJ-WYMLVPIESA-N
XLogP6.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
4-Hexen-1-ol, (4E)-, tert-butyldimethylsilyl ether
CID 15936622
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
Silane, dimethyldi(trans-3,7-dimethyl-2,6-octadien-1-yloxy)-
CID 19045075
[(E)-cyclohex-3-en-1-ylidenemethoxy]-trimethylsilane
CID 12506572
tert-butyl-dimethyl-[(4E,6E,8E)-trideca-4,6,8,12-tetraenoxy]silane
CID 134866952
tert-butyl-[(Z)-hex-4-enoxy]-dimethylsilane
CID 162397527
tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane
CID 58815025
[(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane
CID 88814215
tert-butyl-dimethyl-[(2E,6E)-6-methylocta-2,6-dienoxy]silane
CID 5387051
trans, trans-Farnesol, trimethylsilyl ether
CID 5365996
Nerol, tert-butyldimethylsilyl ether
CID 5366885

Frequently Asked Questions

What is the IUPAC name of [(1E)-7-methylocta-1,6-dienoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(1E)-7-methylocta-1,6-dienoxy]-tri(propan-2-yl)silane (CID 15633720) is [(1E)-7-methylocta-1,6-dienoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(1E)-7-methylocta-1,6-dienoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(1E)-7-methylocta-1,6-dienoxy]-tri(propan-2-yl)silane is CC(C)=CCCC/C=C/O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(1E)-7-methylocta-1,6-dienoxy]-tri(propan-2-yl)silane?
The InChIKey is CTSJZQNMZQJDQJ-WYMLVPIESA-N. The full InChI is InChI=1S/C18H36OSi/c1-15(2)13-11-9-10-12-14-19-20(16(3)4,17(5)6)18(7)8/h12-14,16-18H,9-11H2,1-8H3/b14-12+.
What are the key properties of [(1E)-7-methylocta-1,6-dienoxy]-tri(propan-2-yl)silane?
[(1E)-7-methylocta-1,6-dienoxy]-tri(propan-2-yl)silane has a molecular weight of 296.57 g/mol, XLogP of 6.83, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-7-methylocta-1,6-dienoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 15633720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).