tert-butyl-[(E)-4,4-dimethylhex-2-en-5-ynoxy]-dimethylsilane

C14H26OSi — CID 164668907

IUPACtert-butyl-[(E)-4,4-dimethylhex-2-en-5-ynoxy]-dimethylsilane
SMILESC#CC(C)(C)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-9-14(5,6)11-10-12-15-16(7,8)13(2,3)4/h1,10-11H,12H2,2-8H3/b11-10+
InChIKeyMAYYJNHGNANFEY-ZHACJKMWSA-N
MW238.45 g/mol
LogP4.22
Rot. Bonds4

About tert-butyl-[(E)-4,4-dimethylhex-2-en-5-ynoxy]-dimethylsilane

tert-butyl-[(E)-4,4-dimethylhex-2-en-5-ynoxy]-dimethylsilane (PubChem CID 164668907) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is tert-butyl-[(E)-4,4-dimethylhex-2-en-5-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-4,4-dimethylhex-2-en-5-ynoxy]-dimethylsilane
PubChem CID164668907
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-[(E)-4,4-dimethylhex-2-en-5-ynoxy]-dimethylsilane
SMILESC#CC(C)(C)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-9-14(5,6)11-10-12-15-16(7,8)13(2,3)4/h1,10-11H,12H2,2-8H3/b11-10+
InChIKeyMAYYJNHGNANFEY-ZHACJKMWSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.22
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

cis-2-Penten-1-ol, tert-butyldimethylsilyl ether
CID 88150799
cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91697283
tert-butyl-[(E)-hex-2-enoxy]-dimethylsilane
CID 10987644
tert-butyl(dimethyl)[(2E)-2-penten-4-ynyloxy]silane
CID 10845580
tert-butyl-dimethyl-[(E)-pent-2-enoxy]silane
CID 58205919
tert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane
CID 15849015
Tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane
CID 57332464
[(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane
CID 101348557
tert-butyl-[(E)-hex-4-en-1-yn-3-yl]oxy-dimethylsilane
CID 102341291
tert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane
CID 102422553
tert-butyl-[(E,3R)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane
CID 122377729
(e)-t-Butyl(dimethyl)(non-3-en-8-yn-1-yloxy)-silane
CID 132278645

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-4,4-dimethylhex-2-en-5-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-4,4-dimethylhex-2-en-5-ynoxy]-dimethylsilane (CID 164668907) is tert-butyl-[(E)-4,4-dimethylhex-2-en-5-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-4,4-dimethylhex-2-en-5-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-4,4-dimethylhex-2-en-5-ynoxy]-dimethylsilane is C#CC(C)(C)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-4,4-dimethylhex-2-en-5-ynoxy]-dimethylsilane?
The InChIKey is MAYYJNHGNANFEY-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H26OSi/c1-9-14(5,6)11-10-12-15-16(7,8)13(2,3)4/h1,10-11H,12H2,2-8H3/b11-10+.
What are the key properties of tert-butyl-[(E)-4,4-dimethylhex-2-en-5-ynoxy]-dimethylsilane?
tert-butyl-[(E)-4,4-dimethylhex-2-en-5-ynoxy]-dimethylsilane has a molecular weight of 238.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-4,4-dimethylhex-2-en-5-ynoxy]-dimethylsilane is sourced from PubChem (CID 164668907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).