tert-butyl-[(Z,2S)-2,4-dimethylhex-3-en-5-ynoxy]-dimethylsilane

C14H26OSi — CID 134980374

IUPACtert-butyl-[(Z,2S)-2,4-dimethylhex-3-en-5-ynoxy]-dimethylsilane
SMILESC#C/C(C)=C\[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-9-12(2)10-13(3)11-15-16(7,8)14(4,5)6/h1,10,13H,11H2,2-8H3/b12-10-/t13-/m0/s1
InChIKeyMTMAXXBSIAAAMS-UKVQZPPCSA-N
MW238.45 g/mol
LogP4.22
Rot. Bonds4

About tert-butyl-[(Z,2S)-2,4-dimethylhex-3-en-5-ynoxy]-dimethylsilane

tert-butyl-[(Z,2S)-2,4-dimethylhex-3-en-5-ynoxy]-dimethylsilane (PubChem CID 134980374) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is tert-butyl-[(Z,2S)-2,4-dimethylhex-3-en-5-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,2S)-2,4-dimethylhex-3-en-5-ynoxy]-dimethylsilane
PubChem CID134980374
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-[(Z,2S)-2,4-dimethylhex-3-en-5-ynoxy]-dimethylsilane
SMILESC#C/C(C)=C\[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-9-12(2)10-13(3)11-15-16(7,8)14(4,5)6/h1,10,13H,11H2,2-8H3/b12-10-/t13-/m0/s1
InChIKeyMTMAXXBSIAAAMS-UKVQZPPCSA-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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,2S)-2,4-dimethylhex-3-en-5-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,2S)-2,4-dimethylhex-3-en-5-ynoxy]-dimethylsilane (CID 134980374) is tert-butyl-[(Z,2S)-2,4-dimethylhex-3-en-5-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,2S)-2,4-dimethylhex-3-en-5-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,2S)-2,4-dimethylhex-3-en-5-ynoxy]-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-[(Z,2S)-2,4-dimethylhex-3-en-5-ynoxy]-dimethylsilane?
The InChIKey is MTMAXXBSIAAAMS-UKVQZPPCSA-N. The full InChI is InChI=1S/C14H26OSi/c1-9-12(2)10-13(3)11-15-16(7,8)14(4,5)6/h1,10,13H,11H2,2-8H3/b12-10-/t13-/m0/s1.
What are the key properties of tert-butyl-[(Z,2S)-2,4-dimethylhex-3-en-5-ynoxy]-dimethylsilane?
tert-butyl-[(Z,2S)-2,4-dimethylhex-3-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-[(Z,2S)-2,4-dimethylhex-3-en-5-ynoxy]-dimethylsilane is sourced from PubChem (CID 134980374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).