CID 11296096

C11H13O4 — CID 11296096

IUPAC—
SMILES[CH2][C](C)[CH]C=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C11H13O4/c1-7(2)5-6-8-9(12)14-11(3,4)15-10(8)13/h5-6H,1H2,2-4H3
InChIKeyCPAMCZOTTVYUIN-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.38
Rot. Bonds2

About CID 11296096

CID 11296096 (PubChem CID 11296096) has the molecular formula C11H13O4 and a molecular weight of 209.22 g/mol.

Molecular Properties

Compound NameCID 11296096
PubChem CID11296096
Molecular FormulaC11H13O4
Molecular Weight209.22 g/mol
Exact Mass209.08
IUPAC Name—
SMILES[CH2][C](C)[CH]C=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C11H13O4/c1-7(2)5-6-8-9(12)14-11(3,4)15-10(8)13/h5-6H,1H2,2-4H3
InChIKeyCPAMCZOTTVYUIN-UHFFFAOYSA-N
XLogP1.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11296096?
The IUPAC name of CID 11296096 (CID 11296096) is not available.
What is the SMILES notation for CID 11296096?
The canonical SMILES for CID 11296096 is [CH2][C](C)[CH]C=C1C(=O)OC(C)(C)OC1=O.
What is the InChIKey of CID 11296096?
The InChIKey is CPAMCZOTTVYUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O4/c1-7(2)5-6-8-9(12)14-11(3,4)15-10(8)13/h5-6H,1H2,2-4H3.
What are the key properties of CID 11296096?
CID 11296096 has a molecular weight of 209.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11296096 is sourced from PubChem (CID 11296096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).