tert-butyl-dimethyl-[(3S)-3-methylpent-4-ynoxy]silane

C12H24OSi — CID 135013404

IUPACtert-butyl-dimethyl-[(3S)-3-methylpent-4-ynoxy]silane
SMILESC#C[C@@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24OSi/c1-8-11(2)9-10-13-14(6,7)12(3,4)5/h1,11H,9-10H2,2-7H3/t11-/m1/s1
InChIKeySGMUZRGVCJZOCD-LLVKDONJSA-N
MW212.41 g/mol
LogP3.67
Rot. Bonds4

About tert-butyl-dimethyl-[(3S)-3-methylpent-4-ynoxy]silane

tert-butyl-dimethyl-[(3S)-3-methylpent-4-ynoxy]silane (PubChem CID 135013404) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S)-3-methylpent-4-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S)-3-methylpent-4-ynoxy]silane
PubChem CID135013404
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Nametert-butyl-dimethyl-[(3S)-3-methylpent-4-ynoxy]silane
SMILESC#C[C@@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24OSi/c1-8-11(2)9-10-13-14(6,7)12(3,4)5/h1,11H,9-10H2,2-7H3/t11-/m1/s1
InChIKeySGMUZRGVCJZOCD-LLVKDONJSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.67
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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Related Compounds

Propargyloxy-t-butyldimethylsilane
CID 3445622
(But-3-yn-1-yloxy)(tert-butyl)dimethylsilane
CID 4304567
Tert-butyldimethyl[(2-methylbut-3-yn-1-yl)oxy]silane
CID 10584128
6-(t-Butyldimethylsilyloxy)-1-hexyne
CID 11009448
3-Methyl-1-butanol, tert-butyldimethylsilyl ether
CID 15818300
Tert-butyl-dimethyl-(3-methylpent-1-ynoxy)silane
CID 13667919
Pent-4-ynoxy-tri(propan-2-yl)silane
CID 5461494
Silane, (3-butynyloxy)tris(1-methylethyl)-
CID 10857164
5-(t-Butyldimethylsilyloxy)pent-1-yne
CID 10867306
1-t-Butyldimethylsilyloxy-5-trimethylsilyl-4-pentyne
CID 10923628
Lithium, [5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-pentynyl]-
CID 11041880
Tert-butyl-dimethyl-penta-2,4-diynoxysilane
CID 11252555

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S)-3-methylpent-4-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3S)-3-methylpent-4-ynoxy]silane (CID 135013404) is tert-butyl-dimethyl-[(3S)-3-methylpent-4-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S)-3-methylpent-4-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3S)-3-methylpent-4-ynoxy]silane is C#C[C@@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S)-3-methylpent-4-ynoxy]silane?
The InChIKey is SGMUZRGVCJZOCD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24OSi/c1-8-11(2)9-10-13-14(6,7)12(3,4)5/h1,11H,9-10H2,2-7H3/t11-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3S)-3-methylpent-4-ynoxy]silane?
tert-butyl-dimethyl-[(3S)-3-methylpent-4-ynoxy]silane has a molecular weight of 212.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S)-3-methylpent-4-ynoxy]silane is sourced from PubChem (CID 135013404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).