CID 140743991

C17H28BrO2Si — CID 140743991

IUPAC—
SMILESCCCCO[Si](CCCc1cccc(Br)c1)OCCCC
InChIInChI=1S/C17H28BrO2Si/c1-3-5-12-19-21(20-13-6-4-2)14-8-10-16-9-7-11-17(18)15-16/h7,9,11,15H,3-6,8,10,12-14H2,1-2H3
InChIKeyJNEXCYHLLUSYFZ-UHFFFAOYSA-N
MW372.40 g/mol
LogP5.50
Rot. Bonds12

About CID 140743991

CID 140743991 (PubChem CID 140743991) has the molecular formula C17H28BrO2Si and a molecular weight of 372.40 g/mol.

Molecular Properties

Compound NameCID 140743991
PubChem CID140743991
Molecular FormulaC17H28BrO2Si
Molecular Weight372.40 g/mol
Exact Mass371.10
IUPAC Name—
SMILESCCCCO[Si](CCCc1cccc(Br)c1)OCCCC
InChIInChI=1S/C17H28BrO2Si/c1-3-5-12-19-21(20-13-6-4-2)14-8-10-16-9-7-11-17(18)15-16/h7,9,11,15H,3-6,8,10,12-14H2,1-2H3
InChIKeyJNEXCYHLLUSYFZ-UHFFFAOYSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 140743991?
The IUPAC name of CID 140743991 (CID 140743991) is not available.
What is the SMILES notation for CID 140743991?
The canonical SMILES for CID 140743991 is CCCCO[Si](CCCc1cccc(Br)c1)OCCCC.
What is the InChIKey of CID 140743991?
The InChIKey is JNEXCYHLLUSYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrO2Si/c1-3-5-12-19-21(20-13-6-4-2)14-8-10-16-9-7-11-17(18)15-16/h7,9,11,15H,3-6,8,10,12-14H2,1-2H3.
What are the key properties of CID 140743991?
CID 140743991 has a molecular weight of 372.40 g/mol, XLogP of 5.50, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140743991 is sourced from PubChem (CID 140743991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).