27-bromoheptacosyl(trichloro)silane

C27H54BrCl3Si — CID 87681071

IUPAC27-bromoheptacosyl(trichloro)silane
SMILESCl[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C27H54BrCl3Si/c28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(29,30)31/h1-27H2
InChIKeyKHZBGJZAMUDYNX-UHFFFAOYSA-N
MW593.08 g/mol
LogP12.79
Rot. Bonds27

About 27-bromoheptacosyl(trichloro)silane

27-bromoheptacosyl(trichloro)silane (PubChem CID 87681071) has the molecular formula C27H54BrCl3Si and a molecular weight of 593.08 g/mol. Its IUPAC name is 27-bromoheptacosyl(trichloro)silane.

Molecular Properties

Compound Name27-bromoheptacosyl(trichloro)silane
PubChem CID87681071
Molecular FormulaC27H54BrCl3Si
Molecular Weight593.08 g/mol
Exact Mass590.22
IUPAC Name27-bromoheptacosyl(trichloro)silane
SMILESCl[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C27H54BrCl3Si/c28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(29,30)31/h1-27H2
InChIKeyKHZBGJZAMUDYNX-UHFFFAOYSA-N
XLogP12.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.08
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Frequently Asked Questions

What is the IUPAC name of 27-bromoheptacosyl(trichloro)silane?
The IUPAC name of 27-bromoheptacosyl(trichloro)silane (CID 87681071) is 27-bromoheptacosyl(trichloro)silane.
What is the SMILES notation for 27-bromoheptacosyl(trichloro)silane?
The canonical SMILES for 27-bromoheptacosyl(trichloro)silane is Cl[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCBr.
What is the InChIKey of 27-bromoheptacosyl(trichloro)silane?
The InChIKey is KHZBGJZAMUDYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54BrCl3Si/c28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(29,30)31/h1-27H2.
What are the key properties of 27-bromoheptacosyl(trichloro)silane?
27-bromoheptacosyl(trichloro)silane has a molecular weight of 593.08 g/mol, XLogP of 12.79, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 27-bromoheptacosyl(trichloro)silane is sourced from PubChem (CID 87681071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).