tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane

C14H30OSi — CID 57087962

IUPACtert-butyl-dimethyl-(3-methylhept-5-enoxy)silane
SMILESCC=CCC(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-8-9-10-13(2)11-12-15-16(6,7)14(3,4)5/h8-9,13H,10-12H2,1-7H3
InChIKeyDUVIHQURULFBTF-UHFFFAOYSA-N
MW242.48 g/mol
LogP5.00
Rot. Bonds6

About tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane

tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane (PubChem CID 57087962) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(3-methylhept-5-enoxy)silane
PubChem CID57087962
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Nametert-butyl-dimethyl-(3-methylhept-5-enoxy)silane
SMILESCC=CCC(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-8-9-10-13(2)11-12-15-16(6,7)14(3,4)5/h8-9,13H,10-12H2,1-7H3
InChIKeyDUVIHQURULFBTF-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

tert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane
CID 11312882
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
(3S,4S,6E,9R,10E)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyldodeca-6,10-dien-3-ol
CID 50916568
(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol
CID 135045339
tert-butyl-[(E)-hex-4-enoxy]-dimethylsilane
CID 15936622
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
CID 11219571
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane
CID 91526312
tert-butyl-dimethyl-[(E)-2-methylpent-3-enoxy]silane
CID 121002381
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
(Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol
CID 53255144
tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane
CID 66552565

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane (CID 57087962) is tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane is CC=CCC(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane?
The InChIKey is DUVIHQURULFBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OSi/c1-8-9-10-13(2)11-12-15-16(6,7)14(3,4)5/h8-9,13H,10-12H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane?
tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane has a molecular weight of 242.48 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane is sourced from PubChem (CID 57087962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).