CID 178065232

C10H16Cl2O2Si — CID 178065232

IUPAC—
SMILESC=C(C)C(=O)OCCC[Si]C(Cl)(Cl)CC
InChIInChI=1S/C10H16Cl2O2Si/c1-4-10(11,12)15-7-5-6-14-9(13)8(2)3/h2,4-7H2,1,3H3
InChIKeyYLADDMRMOOJBTH-UHFFFAOYSA-N
MW267.23 g/mol
LogP3.16
Rot. Bonds7

About CID 178065232

CID 178065232 (PubChem CID 178065232) has the molecular formula C10H16Cl2O2Si and a molecular weight of 267.23 g/mol.

Molecular Properties

Compound NameCID 178065232
PubChem CID178065232
Molecular FormulaC10H16Cl2O2Si
Molecular Weight267.23 g/mol
Exact Mass266.03
IUPAC Name—
SMILESC=C(C)C(=O)OCCC[Si]C(Cl)(Cl)CC
InChIInChI=1S/C10H16Cl2O2Si/c1-4-10(11,12)15-7-5-6-14-9(13)8(2)3/h2,4-7H2,1,3H3
InChIKeyYLADDMRMOOJBTH-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 53.16
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 178065232?
The IUPAC name of CID 178065232 (CID 178065232) is not available.
What is the SMILES notation for CID 178065232?
The canonical SMILES for CID 178065232 is C=C(C)C(=O)OCCC[Si]C(Cl)(Cl)CC.
What is the InChIKey of CID 178065232?
The InChIKey is YLADDMRMOOJBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2O2Si/c1-4-10(11,12)15-7-5-6-14-9(13)8(2)3/h2,4-7H2,1,3H3.
What are the key properties of CID 178065232?
CID 178065232 has a molecular weight of 267.23 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178065232 is sourced from PubChem (CID 178065232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).