dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-phenylsilane

C16H22O2Si — CID 101235926

IUPACdimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-phenylsilane
SMILESC=C=C(OC1CCCCO1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H22O2Si/c1-4-16(18-15-12-8-9-13-17-15)19(2,3)14-10-6-5-7-11-14/h5-7,10-11,15H,1,8-9,12-13H2,2-3H3
InChIKeyRZALPDYYUSNIHZ-UHFFFAOYSA-N
MW274.44 g/mol
LogP3.35
Rot. Bonds4

About dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-phenylsilane

dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-phenylsilane (PubChem CID 101235926) has the molecular formula C16H22O2Si and a molecular weight of 274.44 g/mol. Its IUPAC name is dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-phenylsilane.

Molecular Properties

Compound Namedimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-phenylsilane
PubChem CID101235926
Molecular FormulaC16H22O2Si
Molecular Weight274.44 g/mol
Exact Mass274.14
IUPAC Namedimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-phenylsilane
SMILESC=C=C(OC1CCCCO1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H22O2Si/c1-4-16(18-15-12-8-9-13-17-15)19(2,3)14-10-6-5-7-11-14/h5-7,10-11,15H,1,8-9,12-13H2,2-3H3
InChIKeyRZALPDYYUSNIHZ-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 53.35
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

CID 23105603
CID 23105603
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benzyl-dimethyl-[(1E,3E,5E)-7-(oxan-2-yloxy)hepta-1,3,5-trienyl]silane
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2-Methoxy-3-phenylselanyloxane
CID 14136321
Tert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane
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Dibutoxymethylphenylsilane
CID 53961611
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
Methyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-diphenylsilane
CID 101235927

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-phenylsilane?
The IUPAC name of dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-phenylsilane (CID 101235926) is dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-phenylsilane.
What is the SMILES notation for dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-phenylsilane?
The canonical SMILES for dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-phenylsilane is C=C=C(OC1CCCCO1)[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-phenylsilane?
The InChIKey is RZALPDYYUSNIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2Si/c1-4-16(18-15-12-8-9-13-17-15)19(2,3)14-10-6-5-7-11-14/h5-7,10-11,15H,1,8-9,12-13H2,2-3H3.
What are the key properties of dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-phenylsilane?
dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-phenylsilane has a molecular weight of 274.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-phenylsilane is sourced from PubChem (CID 101235926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).