[2-tert-butyl-4,4-bis(methoxymethyl)-7-bicyclo[4.2.0]octa-1,6-dienyl]-trimethylsilane

C19H34O2Si — CID 135011637

IUPAC[2-tert-butyl-4,4-bis(methoxymethyl)-7-bicyclo[4.2.0]octa-1,6-dienyl]-trimethylsilane
SMILESCOCC1(COC)CC2=C([Si](C)(C)C)CC2=C(C(C)(C)C)C1
InChIInChI=1S/C19H34O2Si/c1-18(2,3)16-11-19(12-20-4,13-21-5)10-15-14(16)9-17(15)22(6,7)8/h9-13H2,1-8H3
InChIKeyKABUYZDDMPHOIC-UHFFFAOYSA-N
MW322.57 g/mol
LogP4.98
Rot. Bonds5

About [2-tert-butyl-4,4-bis(methoxymethyl)-7-bicyclo[4.2.0]octa-1,6-dienyl]-trimethylsilane

[2-tert-butyl-4,4-bis(methoxymethyl)-7-bicyclo[4.2.0]octa-1,6-dienyl]-trimethylsilane (PubChem CID 135011637) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is [2-tert-butyl-4,4-bis(methoxymethyl)-7-bicyclo[4.2.0]octa-1,6-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[2-tert-butyl-4,4-bis(methoxymethyl)-7-bicyclo[4.2.0]octa-1,6-dienyl]-trimethylsilane
PubChem CID135011637
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Name[2-tert-butyl-4,4-bis(methoxymethyl)-7-bicyclo[4.2.0]octa-1,6-dienyl]-trimethylsilane
SMILESCOCC1(COC)CC2=C([Si](C)(C)C)CC2=C(C(C)(C)C)C1
InChIInChI=1S/C19H34O2Si/c1-18(2,3)16-11-19(12-20-4,13-21-5)10-15-14(16)9-17(15)22(6,7)8/h9-13H2,1-8H3
InChIKeyKABUYZDDMPHOIC-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.57
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane
CID 135011636

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-4,4-bis(methoxymethyl)-7-bicyclo[4.2.0]octa-1,6-dienyl]-trimethylsilane?
The IUPAC name of [2-tert-butyl-4,4-bis(methoxymethyl)-7-bicyclo[4.2.0]octa-1,6-dienyl]-trimethylsilane (CID 135011637) is [2-tert-butyl-4,4-bis(methoxymethyl)-7-bicyclo[4.2.0]octa-1,6-dienyl]-trimethylsilane.
What is the SMILES notation for [2-tert-butyl-4,4-bis(methoxymethyl)-7-bicyclo[4.2.0]octa-1,6-dienyl]-trimethylsilane?
The canonical SMILES for [2-tert-butyl-4,4-bis(methoxymethyl)-7-bicyclo[4.2.0]octa-1,6-dienyl]-trimethylsilane is COCC1(COC)CC2=C([Si](C)(C)C)CC2=C(C(C)(C)C)C1.
What is the InChIKey of [2-tert-butyl-4,4-bis(methoxymethyl)-7-bicyclo[4.2.0]octa-1,6-dienyl]-trimethylsilane?
The InChIKey is KABUYZDDMPHOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-18(2,3)16-11-19(12-20-4,13-21-5)10-15-14(16)9-17(15)22(6,7)8/h9-13H2,1-8H3.
What are the key properties of [2-tert-butyl-4,4-bis(methoxymethyl)-7-bicyclo[4.2.0]octa-1,6-dienyl]-trimethylsilane?
[2-tert-butyl-4,4-bis(methoxymethyl)-7-bicyclo[4.2.0]octa-1,6-dienyl]-trimethylsilane has a molecular weight of 322.57 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-4,4-bis(methoxymethyl)-7-bicyclo[4.2.0]octa-1,6-dienyl]-trimethylsilane is sourced from PubChem (CID 135011637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).