tributyl-[(E)-(4-methylideneoxolan-3-ylidene)methyl]silane

C18H34OSi — CID 11822532

IUPACtributyl-[(E)-(4-methylideneoxolan-3-ylidene)methyl]silane
SMILESC=C1COC/C1=C/[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C18H34OSi/c1-5-8-11-20(12-9-6-2,13-10-7-3)16-18-15-19-14-17(18)4/h16H,4-15H2,1-3H3/b18-16-
InChIKeyJCYASWVULRTZHK-VLGSPTGOSA-N
MW294.56 g/mol
LogP5.89
Rot. Bonds10

About tributyl-[(E)-(4-methylideneoxolan-3-ylidene)methyl]silane

tributyl-[(E)-(4-methylideneoxolan-3-ylidene)methyl]silane (PubChem CID 11822532) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is tributyl-[(E)-(4-methylideneoxolan-3-ylidene)methyl]silane.

Molecular Properties

Compound Nametributyl-[(E)-(4-methylideneoxolan-3-ylidene)methyl]silane
PubChem CID11822532
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Nametributyl-[(E)-(4-methylideneoxolan-3-ylidene)methyl]silane
SMILESC=C1COC/C1=C/[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C18H34OSi/c1-5-8-11-20(12-9-6-2,13-10-7-3)16-18-15-19-14-17(18)4/h16H,4-15H2,1-3H3/b18-16-
InChIKeyJCYASWVULRTZHK-VLGSPTGOSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tributyl-[(E)-(4-methylideneoxolan-3-ylidene)methyl]silane?
The IUPAC name of tributyl-[(E)-(4-methylideneoxolan-3-ylidene)methyl]silane (CID 11822532) is tributyl-[(E)-(4-methylideneoxolan-3-ylidene)methyl]silane.
What is the SMILES notation for tributyl-[(E)-(4-methylideneoxolan-3-ylidene)methyl]silane?
The canonical SMILES for tributyl-[(E)-(4-methylideneoxolan-3-ylidene)methyl]silane is C=C1COC/C1=C/[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-(4-methylideneoxolan-3-ylidene)methyl]silane?
The InChIKey is JCYASWVULRTZHK-VLGSPTGOSA-N. The full InChI is InChI=1S/C18H34OSi/c1-5-8-11-20(12-9-6-2,13-10-7-3)16-18-15-19-14-17(18)4/h16H,4-15H2,1-3H3/b18-16-.
What are the key properties of tributyl-[(E)-(4-methylideneoxolan-3-ylidene)methyl]silane?
tributyl-[(E)-(4-methylideneoxolan-3-ylidene)methyl]silane has a molecular weight of 294.56 g/mol, XLogP of 5.89, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-(4-methylideneoxolan-3-ylidene)methyl]silane is sourced from PubChem (CID 11822532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).