[(E)-[6-methoxy-2-(3-trimethylsilylbut-3-enyl)oxan-3-ylidene]methyl]-trimethylsilane

C17H34O2Si2 — CID 101177912

IUPAC[(E)-[6-methoxy-2-(3-trimethylsilylbut-3-enyl)oxan-3-ylidene]methyl]-trimethylsilane
SMILESC=C(CCC1OC(OC)CC/C1=C\[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H34O2Si2/c1-14(21(6,7)8)9-11-16-15(13-20(3,4)5)10-12-17(18-2)19-16/h13,16-17H,1,9-12H2,2-8H3/b15-13+
InChIKeyORFDMLKNVWNYLT-FYWRMAATSA-N
MW326.63 g/mol
LogP5.16
Rot. Bonds6

About [(E)-[6-methoxy-2-(3-trimethylsilylbut-3-enyl)oxan-3-ylidene]methyl]-trimethylsilane

[(E)-[6-methoxy-2-(3-trimethylsilylbut-3-enyl)oxan-3-ylidene]methyl]-trimethylsilane (PubChem CID 101177912) has the molecular formula C17H34O2Si2 and a molecular weight of 326.63 g/mol. Its IUPAC name is [(E)-[6-methoxy-2-(3-trimethylsilylbut-3-enyl)oxan-3-ylidene]methyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-[6-methoxy-2-(3-trimethylsilylbut-3-enyl)oxan-3-ylidene]methyl]-trimethylsilane
PubChem CID101177912
Molecular FormulaC17H34O2Si2
Molecular Weight326.63 g/mol
Exact Mass326.21
IUPAC Name[(E)-[6-methoxy-2-(3-trimethylsilylbut-3-enyl)oxan-3-ylidene]methyl]-trimethylsilane
SMILESC=C(CCC1OC(OC)CC/C1=C\[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H34O2Si2/c1-14(21(6,7)8)9-11-16-15(13-20(3,4)5)10-12-17(18-2)19-16/h13,16-17H,1,9-12H2,2-8H3/b15-13+
InChIKeyORFDMLKNVWNYLT-FYWRMAATSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.63
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-[6-methoxy-2-(3-trimethylsilylbut-3-enyl)oxan-3-ylidene]methyl]-trimethylsilane?
The IUPAC name of [(E)-[6-methoxy-2-(3-trimethylsilylbut-3-enyl)oxan-3-ylidene]methyl]-trimethylsilane (CID 101177912) is [(E)-[6-methoxy-2-(3-trimethylsilylbut-3-enyl)oxan-3-ylidene]methyl]-trimethylsilane.
What is the SMILES notation for [(E)-[6-methoxy-2-(3-trimethylsilylbut-3-enyl)oxan-3-ylidene]methyl]-trimethylsilane?
The canonical SMILES for [(E)-[6-methoxy-2-(3-trimethylsilylbut-3-enyl)oxan-3-ylidene]methyl]-trimethylsilane is C=C(CCC1OC(OC)CC/C1=C\[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [(E)-[6-methoxy-2-(3-trimethylsilylbut-3-enyl)oxan-3-ylidene]methyl]-trimethylsilane?
The InChIKey is ORFDMLKNVWNYLT-FYWRMAATSA-N. The full InChI is InChI=1S/C17H34O2Si2/c1-14(21(6,7)8)9-11-16-15(13-20(3,4)5)10-12-17(18-2)19-16/h13,16-17H,1,9-12H2,2-8H3/b15-13+.
What are the key properties of [(E)-[6-methoxy-2-(3-trimethylsilylbut-3-enyl)oxan-3-ylidene]methyl]-trimethylsilane?
[(E)-[6-methoxy-2-(3-trimethylsilylbut-3-enyl)oxan-3-ylidene]methyl]-trimethylsilane has a molecular weight of 326.63 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[6-methoxy-2-(3-trimethylsilylbut-3-enyl)oxan-3-ylidene]methyl]-trimethylsilane is sourced from PubChem (CID 101177912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).