tert-butyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane

C14H26O2Si — CID 101235930

IUPACtert-butyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane
SMILESC=C=C(OC1CCCCO1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-13(17(5,6)14(2,3)4)16-12-10-8-9-11-15-12/h12H,1,8-11H2,2-6H3
InChIKeyBSFFLJNMKUNWFW-UHFFFAOYSA-N
MW254.45 g/mol
LogP4.25
Rot. Bonds3

About tert-butyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane

tert-butyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane (PubChem CID 101235930) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane
PubChem CID101235930
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nametert-butyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane
SMILESC=C=C(OC1CCCCO1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-13(17(5,6)14(2,3)4)16-12-10-8-9-11-15-12/h12H,1,8-11H2,2-6H3
InChIKeyBSFFLJNMKUNWFW-UHFFFAOYSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.25
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane?
The IUPAC name of tert-butyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane (CID 101235930) is tert-butyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane?
The canonical SMILES for tert-butyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane is C=C=C(OC1CCCCO1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane?
The InChIKey is BSFFLJNMKUNWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-13(17(5,6)14(2,3)4)16-12-10-8-9-11-15-12/h12H,1,8-11H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane?
tert-butyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane has a molecular weight of 254.45 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane is sourced from PubChem (CID 101235930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).