tert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane

C15H30OSi — CID 164887760

IUPACtert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane
SMILESCC#C[C@H](C)C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-9-10-13(2)11-14(3)12-16-17(7,8)15(4,5)6/h13-14H,11-12H2,1-8H3/t13-,14-/m0/s1
InChIKeyGICHQCFUTZLKMJ-KBPBESRZSA-N
MW254.49 g/mol
LogP4.69
Rot. Bonds5

About tert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane

tert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane (PubChem CID 164887760) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is tert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane
PubChem CID164887760
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Nametert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane
SMILESCC#C[C@H](C)C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-9-10-13(2)11-14(3)12-16-17(7,8)15(4,5)6/h13-14H,11-12H2,1-8H3/t13-,14-/m0/s1
InChIKeyGICHQCFUTZLKMJ-KBPBESRZSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 54.69
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'}

Analyze tert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane
CID 57336860
tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane
CID 71713685
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
tert-butyl-dimethyl-(2-methylbut-3-ynoxy)silane
CID 10584128
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
(3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol
CID 134979331
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
(2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol
CID 54768092
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane
CID 10060311

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane (CID 164887760) is tert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane is CC#C[C@H](C)C[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane?
The InChIKey is GICHQCFUTZLKMJ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H30OSi/c1-9-10-13(2)11-14(3)12-16-17(7,8)15(4,5)6/h13-14H,11-12H2,1-8H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane?
tert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane has a molecular weight of 254.49 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane is sourced from PubChem (CID 164887760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).