CID 136823403

C11H21O2Si — CID 136823403

IUPAC—
SMILESC=C(CCCOC(C)=O)[Si](CC)CC
InChIInChI=1S/C11H21O2Si/c1-5-14(6-2)10(3)8-7-9-13-11(4)12/h3,5-9H2,1-2,4H3
InChIKeyFPJKQXBZXKKOOJ-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.96
Rot. Bonds7

About CID 136823403

CID 136823403 (PubChem CID 136823403) has the molecular formula C11H21O2Si and a molecular weight of 213.37 g/mol.

Molecular Properties

Compound NameCID 136823403
PubChem CID136823403
Molecular FormulaC11H21O2Si
Molecular Weight213.37 g/mol
Exact Mass213.13
IUPAC Name—
SMILESC=C(CCCOC(C)=O)[Si](CC)CC
InChIInChI=1S/C11H21O2Si/c1-5-14(6-2)10(3)8-7-9-13-11(4)12/h3,5-9H2,1-2,4H3
InChIKeyFPJKQXBZXKKOOJ-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.96
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 136823403?
The IUPAC name of CID 136823403 (CID 136823403) is not available.
What is the SMILES notation for CID 136823403?
The canonical SMILES for CID 136823403 is C=C(CCCOC(C)=O)[Si](CC)CC.
What is the InChIKey of CID 136823403?
The InChIKey is FPJKQXBZXKKOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O2Si/c1-5-14(6-2)10(3)8-7-9-13-11(4)12/h3,5-9H2,1-2,4H3.
What are the key properties of CID 136823403?
CID 136823403 has a molecular weight of 213.37 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136823403 is sourced from PubChem (CID 136823403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).