tert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane

C16H32O3Si — CID 15632318

IUPACtert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane
SMILESC=CC(CCCCO[Si](C)(C)C(C)(C)C)OCC1CO1
InChIInChI=1S/C16H32O3Si/c1-7-14(17-12-15-13-18-15)10-8-9-11-19-20(5,6)16(2,3)4/h7,14-15H,1,8-13H2,2-6H3
InChIKeyJMZQNUYKDIBYAB-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.15
Rot. Bonds10

About tert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane

tert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane (PubChem CID 15632318) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane
PubChem CID15632318
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Nametert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane
SMILESC=CC(CCCCO[Si](C)(C)C(C)(C)C)OCC1CO1
InChIInChI=1S/C16H32O3Si/c1-7-14(17-12-15-13-18-15)10-8-9-11-19-20(5,6)16(2,3)4/h7,14-15H,1,8-13H2,2-6H3
InChIKeyJMZQNUYKDIBYAB-UHFFFAOYSA-N
XLogP4.15
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-dimethyl-[4-(oxiran-2-yl)butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane
CID 161708708
tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane
CID 162119398
tert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
CID 11064587
[(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane
CID 11710370
[(E)-hex-1-enyl]-di(propan-2-yl)-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane
CID 102239076
[(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3S)-3-propyloxiran-2-yl]methoxy]silane
CID 102239077
[(E)-hex-1-enyl]-di(propan-2-yl)-[[(2R,3S)-3-propyloxiran-2-yl]methoxy]silane
CID 102239078
[(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3R)-3-propyloxiran-2-yl]methoxy]silane
CID 102239079
ditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane
CID 102239080
ditert-butyl-[(E)-hex-1-enyl]-[[(2S,3S)-3-propyloxiran-2-yl]methoxy]silane
CID 102239081

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane (CID 15632318) is tert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane is C=CC(CCCCO[Si](C)(C)C(C)(C)C)OCC1CO1.
What is the InChIKey of tert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane?
The InChIKey is JMZQNUYKDIBYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-7-14(17-12-15-13-18-15)10-8-9-11-19-20(5,6)16(2,3)4/h7,14-15H,1,8-13H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane?
tert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane has a molecular weight of 300.51 g/mol, XLogP of 4.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane is sourced from PubChem (CID 15632318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).