tert-butyl-[(2S,3E)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane

C14H28OSi — CID 134993854

IUPACtert-butyl-[(2S,3E)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane
SMILESC=C/C(C)=C/[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28OSi/c1-9-12(2)10-13(3)11-15-16(7,8)14(4,5)6/h9-10,13H,1,11H2,2-8H3/b12-10+/t13-/m0/s1
InChIKeyZMDVOEPALWKXBE-XSNHNAGMSA-N
MW240.46 g/mol
LogP4.78
Rot. Bonds5

About tert-butyl-[(2S,3E)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane

tert-butyl-[(2S,3E)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane (PubChem CID 134993854) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is tert-butyl-[(2S,3E)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3E)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane
PubChem CID134993854
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Nametert-butyl-[(2S,3E)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane
SMILESC=C/C(C)=C/[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28OSi/c1-9-12(2)10-13(3)11-15-16(7,8)14(4,5)6/h9-10,13H,1,11H2,2-8H3/b12-10+/t13-/m0/s1
InChIKeyZMDVOEPALWKXBE-XSNHNAGMSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl[[(1E,3E)-2-methylpenta-1,3-dien-1-yl]oxy]silane
CID 10964963
trans-3-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 12010767
cis-3-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91722567
trimethyl-[2-[(1E,3E)-2-methylpenta-1,3-dienoxy]ethyl]silane
CID 11041744
tert-Butyl(hepta-3,6-dienyloxy)dimethylsilane
CID 14214598
Cyclopentadienyldimethylethoxysilane
CID 517116
2,5-Dihydro-2,2-diisopropyl-3-(prop-1-en-2-yl)-1,2-oxasilole
CID 59227484
tert-butyl-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienoxy]-dimethylsilane
CID 174090226
[(1E,3E)-hexa-1,3-dienoxy]-trimethylsilane
CID 10953967
Tert-butyl-dimethyl-(2-methylidenebut-3-enoxy)silane
CID 10058581
2-Methylidenebut-3-enoxy-tri(propan-2-yl)silane
CID 10911844
tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 11163885

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3E)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3E)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane (CID 134993854) is tert-butyl-[(2S,3E)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3E)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3E)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane is C=C/C(C)=C/[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3E)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane?
The InChIKey is ZMDVOEPALWKXBE-XSNHNAGMSA-N. The full InChI is InChI=1S/C14H28OSi/c1-9-12(2)10-13(3)11-15-16(7,8)14(4,5)6/h9-10,13H,1,11H2,2-8H3/b12-10+/t13-/m0/s1.
What are the key properties of tert-butyl-[(2S,3E)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane?
tert-butyl-[(2S,3E)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane has a molecular weight of 240.46 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3E)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane is sourced from PubChem (CID 134993854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).