3-bromobut-3-enoxy-tri(propan-2-yl)silane

C13H27BrOSi — CID 11358714

IUPAC3-bromobut-3-enoxy-tri(propan-2-yl)silane
SMILESC=C(Br)CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H27BrOSi/c1-10(2)16(11(3)4,12(5)6)15-9-8-13(7)14/h10-12H,7-9H2,1-6H3
InChIKeySPTDAEKYPVVZSE-UHFFFAOYSA-N
MW307.35 g/mol
LogP5.48
Rot. Bonds7

About 3-bromobut-3-enoxy-tri(propan-2-yl)silane

3-bromobut-3-enoxy-tri(propan-2-yl)silane (PubChem CID 11358714) has the molecular formula C13H27BrOSi and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-bromobut-3-enoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-bromobut-3-enoxy-tri(propan-2-yl)silane
PubChem CID11358714
Molecular FormulaC13H27BrOSi
Molecular Weight307.35 g/mol
Exact Mass306.10
IUPAC Name3-bromobut-3-enoxy-tri(propan-2-yl)silane
SMILESC=C(Br)CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H27BrOSi/c1-10(2)16(11(3)4,12(5)6)15-9-8-13(7)14/h10-12H,7-9H2,1-6H3
InChIKeySPTDAEKYPVVZSE-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.35
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromobut-3-enoxy-tri(propan-2-yl)silane?
The IUPAC name of 3-bromobut-3-enoxy-tri(propan-2-yl)silane (CID 11358714) is 3-bromobut-3-enoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 3-bromobut-3-enoxy-tri(propan-2-yl)silane?
The canonical SMILES for 3-bromobut-3-enoxy-tri(propan-2-yl)silane is C=C(Br)CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-bromobut-3-enoxy-tri(propan-2-yl)silane?
The InChIKey is SPTDAEKYPVVZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27BrOSi/c1-10(2)16(11(3)4,12(5)6)15-9-8-13(7)14/h10-12H,7-9H2,1-6H3.
What are the key properties of 3-bromobut-3-enoxy-tri(propan-2-yl)silane?
3-bromobut-3-enoxy-tri(propan-2-yl)silane has a molecular weight of 307.35 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromobut-3-enoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11358714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).