CID 59990313

C11H20O2Si — CID 59990313

IUPAC—
SMILESC[Si]/C=C\CCCOC(=O)C(C)(C)C
InChIInChI=1S/C11H20O2Si/c1-11(2,3)10(12)13-8-6-5-7-9-14-4/h7,9H,5-6,8H2,1-4H3/b9-7-
InChIKeyDQLSHVPRQLGABB-CLFYSBASSA-N
MW212.36 g/mol
LogP2.62
Rot. Bonds5

About CID 59990313

CID 59990313 (PubChem CID 59990313) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol.

Molecular Properties

Compound NameCID 59990313
PubChem CID59990313
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name—
SMILESC[Si]/C=C\CCCOC(=O)C(C)(C)C
InChIInChI=1S/C11H20O2Si/c1-11(2,3)10(12)13-8-6-5-7-9-14-4/h7,9H,5-6,8H2,1-4H3/b9-7-
InChIKeyDQLSHVPRQLGABB-CLFYSBASSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.62
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 59990313?
The IUPAC name of CID 59990313 (CID 59990313) is not available.
What is the SMILES notation for CID 59990313?
The canonical SMILES for CID 59990313 is C[Si]/C=C\CCCOC(=O)C(C)(C)C.
What is the InChIKey of CID 59990313?
The InChIKey is DQLSHVPRQLGABB-CLFYSBASSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-11(2,3)10(12)13-8-6-5-7-9-14-4/h7,9H,5-6,8H2,1-4H3/b9-7-.
What are the key properties of CID 59990313?
CID 59990313 has a molecular weight of 212.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59990313 is sourced from PubChem (CID 59990313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).