tert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane

C13H26OSi — CID 15849015

IUPACtert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane
SMILESC=CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-8-9-10-12(2)11-14-15(6,7)13(3,4)5/h8,10H,1,9,11H2,2-7H3/b12-10+
InChIKeyHSRHQJOTXCZSCB-ZRDIBKRKSA-N
MW226.44 g/mol
LogP4.53
Rot. Bonds5

About tert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane

tert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane (PubChem CID 15849015) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane
PubChem CID15849015
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Nametert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane
SMILESC=CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-8-9-10-12(2)11-14-15(6,7)13(3,4)5/h8,10H,1,9,11H2,2-7H3/b12-10+
InChIKeyHSRHQJOTXCZSCB-ZRDIBKRKSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl[[(1E,3E)-2-methylpenta-1,3-dien-1-yl]oxy]silane
CID 10964963
Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Geraniol, TMS derivative
CID 10998725
Nerol, trimethylsilyl ether
CID 11817006
4-Hexen-1-ol, (4E)-, tert-butyldimethylsilyl ether
CID 15936622
cis-2-Penten-1-ol, tert-butyldimethylsilyl ether
CID 88150799
trans-Crotyl alcohol, tert-butyldimethylsilyl ether
CID 11217677
Tert-butyldimethyl((3-methylbut-2-en-1-yl)oxy)silane
CID 11469722
cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91697283
1-Dimethylisopropylsilyloxy-3-methylbut-2-ene
CID 531285
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
trans-3-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 12010767

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane (CID 15849015) is tert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane is C=CC/C=C(\C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane?
The InChIKey is HSRHQJOTXCZSCB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H26OSi/c1-8-9-10-12(2)11-14-15(6,7)13(3,4)5/h8,10H,1,9,11H2,2-7H3/b12-10+.
What are the key properties of tert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane?
tert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane has a molecular weight of 226.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane is sourced from PubChem (CID 15849015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).