tert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane

C14H26OSi — CID 135076800

IUPACtert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane
SMILESCC#CC(C=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-9-10-13(11-12(2)3)15-16(7,8)14(4,5)6/h11,13H,1-8H3
InChIKeyIDNROWARWXRKAD-UHFFFAOYSA-N
MW238.45 g/mol
LogP4.37
Rot. Bonds3

About tert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane

tert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane (PubChem CID 135076800) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane
PubChem CID135076800
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane
SMILESCC#CC(C=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-9-10-13(11-12(2)3)15-16(7,8)14(4,5)6/h11,13H,1-8H3
InChIKeyIDNROWARWXRKAD-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.37
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

Ctk0J4668
CID 11106001
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
CID 11543224
6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline
CID 135063549
tert-butyl-dimethyl-[(3S,4Z)-nona-4,8-dien-3-yl]oxysilane
CID 11379815
(6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline
CID 11651317
ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane
CID 11651729
Tert-butyl-dimethyl-(4-methylpent-3-en-2-yloxy)silane
CID 12641480
Tert-butyl-dimethyl-(2-methyloct-2-en-7-yn-4-yloxy)silane
CID 13789160
tert-butyl-dimethyl-[(E)-pent-3-en-2-yl]oxysilane
CID 13869188
tert-butyl-dimethyl-[(2E)-2-methylhexa-2,5-dienoxy]silane
CID 15849015
tert-butyl-[(E,4R,5R)-3,5-dimethyloct-2-en-6-yn-4-yl]oxy-dimethylsilane
CID 16125838
2,2,5-Trimethyl-6-prop-1-en-2-yl-3,6-dihydrooxasiline
CID 22948205

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane (CID 135076800) is tert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane is CC#CC(C=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane?
The InChIKey is IDNROWARWXRKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OSi/c1-9-10-13(11-12(2)3)15-16(7,8)14(4,5)6/h11,13H,1-8H3.
What are the key properties of tert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane?
tert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane has a molecular weight of 238.45 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane is sourced from PubChem (CID 135076800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).