1-bromohexan-2-yl(triethoxy)silane

C12H27BrO3Si — CID 142614028

IUPAC1-bromohexan-2-yl(triethoxy)silane
SMILESCCCCC(CBr)[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H27BrO3Si/c1-5-9-10-12(11-13)17(14-6-2,15-7-3)16-8-4/h12H,5-11H2,1-4H3
InChIKeyOWYHJIGQLBGXQG-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.99
Rot. Bonds11

About 1-bromohexan-2-yl(triethoxy)silane

1-bromohexan-2-yl(triethoxy)silane (PubChem CID 142614028) has the molecular formula C12H27BrO3Si and a molecular weight of 327.34 g/mol. Its IUPAC name is 1-bromohexan-2-yl(triethoxy)silane.

Molecular Properties

Compound Name1-bromohexan-2-yl(triethoxy)silane
PubChem CID142614028
Molecular FormulaC12H27BrO3Si
Molecular Weight327.34 g/mol
Exact Mass326.09
IUPAC Name1-bromohexan-2-yl(triethoxy)silane
SMILESCCCCC(CBr)[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H27BrO3Si/c1-5-9-10-12(11-13)17(14-6-2,15-7-3)16-8-4/h12H,5-11H2,1-4H3
InChIKeyOWYHJIGQLBGXQG-UHFFFAOYSA-N
XLogP3.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-triethoxysilylhexan-1-amine
CID 87125413
tributyl(1-triethoxysilylpropyl)phosphanium
CID 22910406
N-diazo-2-triethoxysilylhexane-1-sulfonamide
CID 19882891
N,N-dimethyl-6-triethoxysilylhenicosan-4-amine
CID 175028426
triethoxy(2-phenyloct-1-en-4-yl)silane
CID 101379402
3-triethoxysilyloctoxymethanedithioic acid
CID 171618553
N,N-dimethyl-1-triethoxysilylhexan-1-amine
CID 89262216
1-triethoxysilyldecan-1-amine
CID 87463354
triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane
CID 22222937
triethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane
CID 178023193
2-triethoxysilylbutane-1,4-diamine
CID 89315608
6-triethoxysilyloctan-4-ol
CID 175039957

Frequently Asked Questions

What is the IUPAC name of 1-bromohexan-2-yl(triethoxy)silane?
The IUPAC name of 1-bromohexan-2-yl(triethoxy)silane (CID 142614028) is 1-bromohexan-2-yl(triethoxy)silane.
What is the SMILES notation for 1-bromohexan-2-yl(triethoxy)silane?
The canonical SMILES for 1-bromohexan-2-yl(triethoxy)silane is CCCCC(CBr)[Si](OCC)(OCC)OCC.
What is the InChIKey of 1-bromohexan-2-yl(triethoxy)silane?
The InChIKey is OWYHJIGQLBGXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BrO3Si/c1-5-9-10-12(11-13)17(14-6-2,15-7-3)16-8-4/h12H,5-11H2,1-4H3.
What are the key properties of 1-bromohexan-2-yl(triethoxy)silane?
1-bromohexan-2-yl(triethoxy)silane has a molecular weight of 327.34 g/mol, XLogP of 3.99, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromohexan-2-yl(triethoxy)silane is sourced from PubChem (CID 142614028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).