tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane

C14H26OSi — CID 54417522

IUPACtert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=CC
InChIInChI=1S/C14H26OSi/c1-9-11-12(3)13(10-2)15-16(7,8)14(4,5)6/h2,9,11-13H,1,3-8H3/t12-,13+/m1/s1
InChIKeyVYMGLBFAIDXTGD-OLZOCXBDSA-N
MW238.45 g/mol
LogP4.22
Rot. Bonds4

About tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane

tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane (PubChem CID 54417522) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane
PubChem CID54417522
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=CC
InChIInChI=1S/C14H26OSi/c1-9-11-12(3)13(10-2)15-16(7,8)14(4,5)6/h2,9,11-13H,1,3-8H3/t12-,13+/m1/s1
InChIKeyVYMGLBFAIDXTGD-OLZOCXBDSA-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

tert-butyl-dimethyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane
CID 18396825
tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane
CID 14918716
tert-butyl-[(E,2S)-2,4-dimethylhex-3-en-5-ynoxy]-dimethylsilane
CID 16079534
tert-butyl-[(E)-5,5-dimethyloct-6-en-2-yn-4-yl]oxy-dimethylsilane
CID 44195394
tert-butyl-[(3Z,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
CID 53359090
tert-butyl-dimethyl-[(1R,2S)-2-(2-trimethylsilylethynyl)cyclopent-3-en-1-yl]oxysilane
CID 56850984
tert-butyl-[(E)-hex-4-en-1-yn-3-yl]oxy-dimethylsilane
CID 102341291
tert-butyl-[(E,3R)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane
CID 122377729
tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane
CID 122386867
(e)-t-Butyl(dimethyl)(non-3-en-8-yn-1-yloxy)-silane
CID 132278645
tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane
CID 134836408
tert-butyl-[(2S,3R)-3-ethynyl-6-methylhept-5-en-2-yl]oxy-dimethylsilane
CID 134967775

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane (CID 54417522) is tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane is C#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=CC.
What is the InChIKey of tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane?
The InChIKey is VYMGLBFAIDXTGD-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H26OSi/c1-9-11-12(3)13(10-2)15-16(7,8)14(4,5)6/h2,9,11-13H,1,3-8H3/t12-,13+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane?
tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane 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-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane is sourced from PubChem (CID 54417522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).