tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane

C14H30OSi — CID 10060311

IUPACtert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane
SMILESC/C=C(\C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-9-12(2)10-13(3)11-15-16(7,8)14(4,5)6/h9,13H,10-11H2,1-8H3/b12-9+/t13-/m1/s1
InChIKeyPIBHRRGRDCPSMJ-CNELAYHGSA-N
MW242.48 g/mol
LogP5.00
Rot. Bonds5

About tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane

tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane (PubChem CID 10060311) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane
PubChem CID10060311
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Nametert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane
SMILESC/C=C(\C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-9-12(2)10-13(3)11-15-16(7,8)14(4,5)6/h9,13H,10-11H2,1-8H3/b12-9+/t13-/m1/s1
InChIKeyPIBHRRGRDCPSMJ-CNELAYHGSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.48
LogP ≤ 55.00
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'}

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Related Compounds

methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
CID 19737479
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-dimethyl-[(E)-2-methylpent-3-enoxy]silane
CID 121002381
tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane
CID 57336860
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane
CID 71713685
(E,2S,3R)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhept-4-en-3-ol
CID 101339681

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane (CID 10060311) is tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-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-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane?
The InChIKey is PIBHRRGRDCPSMJ-CNELAYHGSA-N. The full InChI is InChI=1S/C14H30OSi/c1-9-12(2)10-13(3)11-15-16(7,8)14(4,5)6/h9,13H,10-11H2,1-8H3/b12-9+/t13-/m1/s1.
What are the key properties of tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane?
tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane has a molecular weight of 242.48 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane is sourced from PubChem (CID 10060311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).