(4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane

C14H29BrOSi — CID 76597874

IUPAC(4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane
SMILESCC(=CBr)CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H29BrOSi/c1-11(2)17(12(3)4,13(5)6)16-9-8-14(7)10-15/h10-13H,8-9H2,1-7H3
InChIKeyFIUWCZFIQJTTQF-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.87
Rot. Bonds7

About (4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane

(4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane (PubChem CID 76597874) has the molecular formula C14H29BrOSi and a molecular weight of 321.38 g/mol. Its IUPAC name is (4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane
PubChem CID76597874
Molecular FormulaC14H29BrOSi
Molecular Weight321.38 g/mol
Exact Mass320.12
IUPAC Name(4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane
SMILESCC(=CBr)CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H29BrOSi/c1-11(2)17(12(3)4,13(5)6)16-9-8-14(7)10-15/h10-13H,8-9H2,1-7H3
InChIKeyFIUWCZFIQJTTQF-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-tri(propan-2-yl)silyloxybutan-2-one
CID 13398602
(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal
CID 102371780
[(Z,2S)-4-iodo-2-methylpent-3-enoxy]-tri(propan-2-yl)silane
CID 11176499
4-tri(propan-2-yl)silyloxybutanethioamide
CID 146014175
6-bromohexoxy-tri(propan-2-yl)silane
CID 89400609
[(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane
CID 15236554
[(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane
CID 10531152
2-(2-methyloxiran-2-yl)ethoxy-tri(propan-2-yl)silane
CID 142701115
6-chlorohexoxy-tri(propan-2-yl)silane
CID 89400729
[(3S,4R)-3-acetyloxy-2-iodo-8-tri(propan-2-yl)silyloxyoct-1-en-4-yl] acetate
CID 11827509
(Z)-4-ethenyl-3-[2-tri(propan-2-yl)silyloxyethyl]oct-2-en-6-yn-1-ol
CID 101403790
[(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate
CID 166436917

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane?
The IUPAC name of (4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane (CID 76597874) is (4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane.
What is the SMILES notation for (4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane?
The canonical SMILES for (4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane is CC(=CBr)CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane?
The InChIKey is FIUWCZFIQJTTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BrOSi/c1-11(2)17(12(3)4,13(5)6)16-9-8-14(7)10-15/h10-13H,8-9H2,1-7H3.
What are the key properties of (4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane?
(4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane has a molecular weight of 321.38 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane is sourced from PubChem (CID 76597874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).