CID 140744023

C13H20ClO2Si — CID 140744023

IUPAC—
SMILESCCCO[Si](Cc1cccc(Cl)c1)OCCC
InChIInChI=1S/C13H20ClO2Si/c1-3-8-15-17(16-9-4-2)11-12-6-5-7-13(14)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyIDWHHAQKABMNPA-UHFFFAOYSA-N
MW271.84 g/mol
LogP3.76
Rot. Bonds8

About CID 140744023

CID 140744023 (PubChem CID 140744023) has the molecular formula C13H20ClO2Si and a molecular weight of 271.84 g/mol.

Molecular Properties

Compound NameCID 140744023
PubChem CID140744023
Molecular FormulaC13H20ClO2Si
Molecular Weight271.84 g/mol
Exact Mass271.09
IUPAC Name—
SMILESCCCO[Si](Cc1cccc(Cl)c1)OCCC
InChIInChI=1S/C13H20ClO2Si/c1-3-8-15-17(16-9-4-2)11-12-6-5-7-13(14)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyIDWHHAQKABMNPA-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.84
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 140744023?
The IUPAC name of CID 140744023 (CID 140744023) is not available.
What is the SMILES notation for CID 140744023?
The canonical SMILES for CID 140744023 is CCCO[Si](Cc1cccc(Cl)c1)OCCC.
What is the InChIKey of CID 140744023?
The InChIKey is IDWHHAQKABMNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClO2Si/c1-3-8-15-17(16-9-4-2)11-12-6-5-7-13(14)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3.
What are the key properties of CID 140744023?
CID 140744023 has a molecular weight of 271.84 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140744023 is sourced from PubChem (CID 140744023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).