6-trichlorosilylhexyl 2-bromopropanoate

C9H16BrCl3O2Si — CID 59215465

IUPAC6-trichlorosilylhexyl 2-bromopropanoate
SMILESCC(Br)C(=O)OCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C9H16BrCl3O2Si/c1-8(10)9(14)15-6-4-2-3-5-7-16(11,12)13/h8H,2-7H2,1H3
InChIKeyPKLWKZNNPXOUKR-UHFFFAOYSA-N
MW370.57 g/mol
LogP4.53
Rot. Bonds8

About 6-trichlorosilylhexyl 2-bromopropanoate

6-trichlorosilylhexyl 2-bromopropanoate (PubChem CID 59215465) has the molecular formula C9H16BrCl3O2Si and a molecular weight of 370.57 g/mol. Its IUPAC name is 6-trichlorosilylhexyl 2-bromopropanoate.

Molecular Properties

Compound Name6-trichlorosilylhexyl 2-bromopropanoate
PubChem CID59215465
Molecular FormulaC9H16BrCl3O2Si
Molecular Weight370.57 g/mol
Exact Mass367.92
IUPAC Name6-trichlorosilylhexyl 2-bromopropanoate
SMILESCC(Br)C(=O)OCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C9H16BrCl3O2Si/c1-8(10)9(14)15-6-4-2-3-5-7-16(11,12)13/h8H,2-7H2,1H3
InChIKeyPKLWKZNNPXOUKR-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.57
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate
CID 150415152
6-trichlorosilylhexyl 3-bromo-2-methylpropanoate
CID 140615646
3-(2-bromopropanoyloxy)propyl 2-bromopropanoate
CID 87557044
7-trichlorosilylheptyl acetate
CID 150460177
14-trichlorosilyltetradecyl 2-methylprop-2-enoate
CID 156681386
17-trichlorosilylheptadecyl 2-methylprop-2-enoate
CID 156681417
8-trichlorosilyloctyl but-2-enoate
CID 174105922
14-trichlorosilyltetradecyl but-2-enoate
CID 174106042
7-trichlorosilylheptyl but-2-enoate
CID 174106010
13-trichlorosilyltridecyl but-2-enoate
CID 174106076
9-trichlorosilylnonyl but-2-enoate
CID 174105776
3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate
CID 124675355

Frequently Asked Questions

What is the IUPAC name of 6-trichlorosilylhexyl 2-bromopropanoate?
The IUPAC name of 6-trichlorosilylhexyl 2-bromopropanoate (CID 59215465) is 6-trichlorosilylhexyl 2-bromopropanoate.
What is the SMILES notation for 6-trichlorosilylhexyl 2-bromopropanoate?
The canonical SMILES for 6-trichlorosilylhexyl 2-bromopropanoate is CC(Br)C(=O)OCCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 6-trichlorosilylhexyl 2-bromopropanoate?
The InChIKey is PKLWKZNNPXOUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrCl3O2Si/c1-8(10)9(14)15-6-4-2-3-5-7-16(11,12)13/h8H,2-7H2,1H3.
What are the key properties of 6-trichlorosilylhexyl 2-bromopropanoate?
6-trichlorosilylhexyl 2-bromopropanoate has a molecular weight of 370.57 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trichlorosilylhexyl 2-bromopropanoate is sourced from PubChem (CID 59215465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).