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

C13H22O2Si — CID 101235929

IUPACdimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-prop-2-enylsilane
SMILESC=C=C(OC1CCCCO1)[Si](C)(C)CC=C
InChIInChI=1S/C13H22O2Si/c1-5-11-16(3,4)13(6-2)15-12-9-7-8-10-14-12/h5,12H,1-2,7-11H2,3-4H3
InChIKeyNBWIDNDLBMMYJL-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.63
Rot. Bonds5

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

dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-prop-2-enylsilane (PubChem CID 101235929) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-prop-2-enylsilane.

Molecular Properties

Compound Namedimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-prop-2-enylsilane
PubChem CID101235929
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Namedimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-prop-2-enylsilane
SMILESC=C=C(OC1CCCCO1)[Si](C)(C)CC=C
InChIInChI=1S/C13H22O2Si/c1-5-11-16(3,4)13(6-2)15-12-9-7-8-10-14-12/h5,12H,1-2,7-11H2,3-4H3
InChIKeyNBWIDNDLBMMYJL-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[(Z)-6-(oxan-2-yloxy)hex-2-enyl]silane
CID 15103855
trimethyl-[(Z)-7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane
CID 10706640
Trimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane
CID 11344891
Trimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane
CID 14691618
Cyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane
CID 101235928
2-ethoxy-6-[(E)-prop-1-enoxy]oxane
CID 134890634
Dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-prop-2-enoxysilane
CID 134897559
trimethyl-[(Z)-3-(oxan-2-yloxy)-1-trimethylsilylprop-1-en-2-yl]silane
CID 134949433
Allyldimethyl-[4-(terahydropyran-2-yloxy)-but-1-ynyl]-silane
CID 20726336
Ethenyl-dimethyl-[6-(oxan-2-yloxy)hexyl]silane
CID 20726340
Dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane
CID 22717485
Trimethyl-[3-(oxan-2-yloxy)prop-1-enyl]silane
CID 54217825

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-prop-2-enylsilane?
The IUPAC name of dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-prop-2-enylsilane (CID 101235929) is dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-prop-2-enylsilane.
What is the SMILES notation for dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-prop-2-enylsilane?
The canonical SMILES for dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-prop-2-enylsilane is C=C=C(OC1CCCCO1)[Si](C)(C)CC=C.
What is the InChIKey of dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-prop-2-enylsilane?
The InChIKey is NBWIDNDLBMMYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-5-11-16(3,4)13(6-2)15-12-9-7-8-10-14-12/h5,12H,1-2,7-11H2,3-4H3.
What are the key properties of dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-prop-2-enylsilane?
dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-prop-2-enylsilane has a molecular weight of 238.40 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 dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-prop-2-enylsilane is sourced from PubChem (CID 101235929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).