tert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane

C16H32O3Si — CID 156679822

IUPACtert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane
SMILESC=CCC(COC1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-7-10-14(19-20(5,6)16(2,3)4)13-18-15-11-8-9-12-17-15/h7,14-15H,1,8-13H2,2-6H3
InChIKeyKFLRZCODJNCIFY-UHFFFAOYSA-N
MW300.52 g/mol
LogP4.50
Rot. Bonds7

About tert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane

tert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane (PubChem CID 156679822) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane
PubChem CID156679822
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Nametert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane
SMILESC=CCC(COC1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-7-10-14(19-20(5,6)16(2,3)4)13-18-15-11-8-9-12-17-15/h7,14-15H,1,8-13H2,2-6H3
InChIKeyKFLRZCODJNCIFY-UHFFFAOYSA-N
XLogP4.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane?
The IUPAC name of tert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane (CID 156679822) is tert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane is C=CCC(COC1CCCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane?
The InChIKey is KFLRZCODJNCIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-7-10-14(19-20(5,6)16(2,3)4)13-18-15-11-8-9-12-17-15/h7,14-15H,1,8-13H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane?
tert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane has a molecular weight of 300.52 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane is sourced from PubChem (CID 156679822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).