dimethyl-[(3E)-octa-1,3-dien-2-yl]oxy-phenylsilane

C16H24OSi — CID 102299018

IUPACdimethyl-[(3E)-octa-1,3-dien-2-yl]oxy-phenylsilane
SMILESC=C(/C=C/CCCC)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H24OSi/c1-5-6-7-9-12-15(2)17-18(3,4)16-13-10-8-11-14-16/h8-14H,2,5-7H2,1,3-4H3/b12-9+
InChIKeyFEPQGDORLPVQOX-FMIVXFBMSA-N
MW260.45 g/mol
LogP4.38
Rot. Bonds7

About dimethyl-[(3E)-octa-1,3-dien-2-yl]oxy-phenylsilane

dimethyl-[(3E)-octa-1,3-dien-2-yl]oxy-phenylsilane (PubChem CID 102299018) has the molecular formula C16H24OSi and a molecular weight of 260.45 g/mol. Its IUPAC name is dimethyl-[(3E)-octa-1,3-dien-2-yl]oxy-phenylsilane.

Molecular Properties

Compound Namedimethyl-[(3E)-octa-1,3-dien-2-yl]oxy-phenylsilane
PubChem CID102299018
Molecular FormulaC16H24OSi
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Namedimethyl-[(3E)-octa-1,3-dien-2-yl]oxy-phenylsilane
SMILESC=C(/C=C/CCCC)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H24OSi/c1-5-6-7-9-12-15(2)17-18(3,4)16-13-10-8-11-14-16/h8-14H,2,5-7H2,1,3-4H3/b12-9+
InChIKeyFEPQGDORLPVQOX-FMIVXFBMSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 54.38
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-hept-2-enyl]-dimethyl-phenylsilane
CID 15915975
(2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one
CID 135078042
[(3E)-nona-1,3-dien-2-yl] benzoate
CID 101413594
bis[(E)-non-3-enoxy]-diphenylsilane
CID 91732770
tert-butyl-dimethyl-[(Z)-4-methylidene-1-phenyldec-5-en-3-yl]oxysilane
CID 11199157
[(3E)-octa-1,3-dien-2-yl]sulfinylbenzene
CID 46928436
[(1E,3E)-2-methylocta-1,3-dienyl]benzene
CID 15953217
heptoxy-[(E)-non-3-enoxy]-diphenylsilane
CID 91741470
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
[(4E,6E)-undeca-1,4,6-trien-5-yl]benzene
CID 101219180
2-methylideneoct-3-enoic acid
CID 54236910
[[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate
CID 156904919

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(3E)-octa-1,3-dien-2-yl]oxy-phenylsilane?
The IUPAC name of dimethyl-[(3E)-octa-1,3-dien-2-yl]oxy-phenylsilane (CID 102299018) is dimethyl-[(3E)-octa-1,3-dien-2-yl]oxy-phenylsilane.
What is the SMILES notation for dimethyl-[(3E)-octa-1,3-dien-2-yl]oxy-phenylsilane?
The canonical SMILES for dimethyl-[(3E)-octa-1,3-dien-2-yl]oxy-phenylsilane is C=C(/C=C/CCCC)O[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl-[(3E)-octa-1,3-dien-2-yl]oxy-phenylsilane?
The InChIKey is FEPQGDORLPVQOX-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H24OSi/c1-5-6-7-9-12-15(2)17-18(3,4)16-13-10-8-11-14-16/h8-14H,2,5-7H2,1,3-4H3/b12-9+.
What are the key properties of dimethyl-[(3E)-octa-1,3-dien-2-yl]oxy-phenylsilane?
dimethyl-[(3E)-octa-1,3-dien-2-yl]oxy-phenylsilane has a molecular weight of 260.45 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(3E)-octa-1,3-dien-2-yl]oxy-phenylsilane is sourced from PubChem (CID 102299018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).