methyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-diphenylsilane

C21H24O2Si — CID 101235927

IUPACmethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-diphenylsilane
SMILESC=C=C(OC1CCCCO1)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O2Si/c1-3-21(23-20-16-10-11-17-22-20)24(2,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20H,1,10-11,16-17H2,2H3
InChIKeyGQAVSGBVAMPJJA-UHFFFAOYSA-N
MW336.51 g/mol
LogP3.63
Rot. Bonds5

About methyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-diphenylsilane

methyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-diphenylsilane (PubChem CID 101235927) has the molecular formula C21H24O2Si and a molecular weight of 336.51 g/mol. Its IUPAC name is methyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-diphenylsilane.

Molecular Properties

Compound Namemethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-diphenylsilane
PubChem CID101235927
Molecular FormulaC21H24O2Si
Molecular Weight336.51 g/mol
Exact Mass336.15
IUPAC Namemethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-diphenylsilane
SMILESC=C=C(OC1CCCCO1)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O2Si/c1-3-21(23-20-16-10-11-17-22-20)24(2,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20H,1,10-11,16-17H2,2H3
InChIKeyGQAVSGBVAMPJJA-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(t-BUTYLDIPHENYLSILYLOXY)-6-FLUORO-7-(2-TETRAHYDROPYRANYLOXY)-5-HEPTENE
CID 53929479
tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane
CID 139774217
Tert-butyl-[2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane
CID 142591929
[2,2-Difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane
CID 175061850
tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane
CID 175967985
Tert-butyl-[4,4-difluoro-5-(oxan-2-yloxy)pentoxy]-diphenylsilane
CID 176410539
tert-butyl-[(Z)-7,7-diethoxyhept-3-en-1,5-diynyl]-diphenylsilane
CID 13993534
Tert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane
CID 14463512
Lithium 3-(oxan-2-yloxy)propyl-diphenylsilanide
CID 71500374
Dimethyl-[5-(oxan-2-yloxy)pent-1-ynyl]-phenylsilane
CID 85755132
1-(Oxan-2-yloxy)propa-1,2-dienyl-triphenylsilane
CID 85846920
Tert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane
CID 91332140

Frequently Asked Questions

What is the IUPAC name of methyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-diphenylsilane?
The IUPAC name of methyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-diphenylsilane (CID 101235927) is methyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-diphenylsilane.
What is the SMILES notation for methyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-diphenylsilane?
The canonical SMILES for methyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-diphenylsilane is C=C=C(OC1CCCCO1)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-diphenylsilane?
The InChIKey is GQAVSGBVAMPJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2Si/c1-3-21(23-20-16-10-11-17-22-20)24(2,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20H,1,10-11,16-17H2,2H3.
What are the key properties of methyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-diphenylsilane?
methyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-diphenylsilane has a molecular weight of 336.51 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-diphenylsilane is sourced from PubChem (CID 101235927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).