tert-butyl-(4-methylhexa-4,5-dienoxy)-diphenylsilane

C23H30OSi — CID 10009202

IUPACtert-butyl-(4-methylhexa-4,5-dienoxy)-diphenylsilane
SMILESC=C=C(C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H30OSi/c1-6-20(2)14-13-19-24-25(23(3,4)5,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-12,15-18H,1,13-14,19H2,2-5H3
InChIKeyKWNHXAQNTVXRMJ-UHFFFAOYSA-N
MW350.58 g/mol
LogP5.07
Rot. Bonds7

About tert-butyl-(4-methylhexa-4,5-dienoxy)-diphenylsilane

tert-butyl-(4-methylhexa-4,5-dienoxy)-diphenylsilane (PubChem CID 10009202) has the molecular formula C23H30OSi and a molecular weight of 350.58 g/mol. Its IUPAC name is tert-butyl-(4-methylhexa-4,5-dienoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(4-methylhexa-4,5-dienoxy)-diphenylsilane
PubChem CID10009202
Molecular FormulaC23H30OSi
Molecular Weight350.58 g/mol
Exact Mass350.21
IUPAC Nametert-butyl-(4-methylhexa-4,5-dienoxy)-diphenylsilane
SMILESC=C=C(C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H30OSi/c1-6-20(2)14-13-19-24-25(23(3,4)5,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-12,15-18H,1,13-14,19H2,2-5H3
InChIKeyKWNHXAQNTVXRMJ-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.58
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 81284
CID 81284
CID 5945
CID 5945
CID 15770
CID 15770
CID 73695
CID 73695
CID 75705
CID 75705
CID 69891
CID 69891
CID 74576
CID 74576
CID 74588
CID 74588
CID 610226
CID 610226
CID 87366
CID 87366
CID 2735650
CID 2735650
CID 10915442
CID 10915442

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4-methylhexa-4,5-dienoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(4-methylhexa-4,5-dienoxy)-diphenylsilane (CID 10009202) is tert-butyl-(4-methylhexa-4,5-dienoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(4-methylhexa-4,5-dienoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(4-methylhexa-4,5-dienoxy)-diphenylsilane is C=C=C(C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-(4-methylhexa-4,5-dienoxy)-diphenylsilane?
The InChIKey is KWNHXAQNTVXRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30OSi/c1-6-20(2)14-13-19-24-25(23(3,4)5,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-12,15-18H,1,13-14,19H2,2-5H3.
What are the key properties of tert-butyl-(4-methylhexa-4,5-dienoxy)-diphenylsilane?
tert-butyl-(4-methylhexa-4,5-dienoxy)-diphenylsilane has a molecular weight of 350.58 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-methylhexa-4,5-dienoxy)-diphenylsilane is sourced from PubChem (CID 10009202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).