CID 175569467

C10H21BrO3Se2 — CID 175569467

IUPAC—
SMILESCCCCCC(O)CC(C)(Br)C(=O)O.[SeH][SeH]
InChIInChI=1S/C10H19BrO3.H2Se2/c1-3-4-5-6-8(12)7-10(2,11)9(13)14;1-2/h8,12H,3-7H2,1-2H3,(H,13,14);1-2H
InChIKeyNWBPCOZBHGTDKE-UHFFFAOYSA-N
MW427.10 g/mol
LogP1.26
Rot. Bonds7

About CID 175569467

CID 175569467 (PubChem CID 175569467) has the molecular formula C10H21BrO3Se2 and a molecular weight of 427.10 g/mol.

Molecular Properties

Compound NameCID 175569467
PubChem CID175569467
Molecular FormulaC10H21BrO3Se2
Molecular Weight427.10 g/mol
Exact Mass427.90
IUPAC Name—
SMILESCCCCCC(O)CC(C)(Br)C(=O)O.[SeH][SeH]
InChIInChI=1S/C10H19BrO3.H2Se2/c1-3-4-5-6-8(12)7-10(2,11)9(13)14;1-2/h8,12H,3-7H2,1-2H3,(H,13,14);1-2H
InChIKeyNWBPCOZBHGTDKE-UHFFFAOYSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.10
LogP ≤ 51.26
H-Bond Donors ≤ 52
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'}

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Related Compounds

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CID 87612746
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Frequently Asked Questions

What is the IUPAC name of CID 175569467?
The IUPAC name of CID 175569467 (CID 175569467) is not available.
What is the SMILES notation for CID 175569467?
The canonical SMILES for CID 175569467 is CCCCCC(O)CC(C)(Br)C(=O)O.[SeH][SeH].
What is the InChIKey of CID 175569467?
The InChIKey is NWBPCOZBHGTDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO3.H2Se2/c1-3-4-5-6-8(12)7-10(2,11)9(13)14;1-2/h8,12H,3-7H2,1-2H3,(H,13,14);1-2H.
What are the key properties of CID 175569467?
CID 175569467 has a molecular weight of 427.10 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175569467 is sourced from PubChem (CID 175569467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).