CID 101122264

C11H15O4 — CID 101122264

IUPAC—
SMILESCC(=O)O[C@H]1[CH][C@H]2C[C@@H]1[C@@H](OC(C)=O)C2
InChIInChI=1S/C11H15O4/c1-6(12)14-10-4-8-3-9(10)11(5-8)15-7(2)13/h4,8-11H,3,5H2,1-2H3/t8-,9+,10+,11+/m1/s1
InChIKeyZBNDXPLSSWLARI-RCWTZXSCSA-N
MW211.24 g/mol
LogP1.09
Rot. Bonds2

About CID 101122264

CID 101122264 (PubChem CID 101122264) has the molecular formula C11H15O4 and a molecular weight of 211.24 g/mol.

Molecular Properties

Compound NameCID 101122264
PubChem CID101122264
Molecular FormulaC11H15O4
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name—
SMILESCC(=O)O[C@H]1[CH][C@H]2C[C@@H]1[C@@H](OC(C)=O)C2
InChIInChI=1S/C11H15O4/c1-6(12)14-10-4-8-3-9(10)11(5-8)15-7(2)13/h4,8-11H,3,5H2,1-2H3/t8-,9+,10+,11+/m1/s1
InChIKeyZBNDXPLSSWLARI-RCWTZXSCSA-N
XLogP1.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 101122248
CID 101122248
CID 101122262
CID 101122262
CID 101122251
CID 101122251
(2,3,4-trihydroxycyclopentyl) acetate
CID 14105902
[(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate
CID 10678468
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl] acetate
CID 1268036
[(1S,4S,5S)-4,5-diacetyloxycyclohex-2-en-1-yl] acetate
CID 125475095
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
(2-acetyloxycyclopent-3-en-1-yl) acetate
CID 12696430
[(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate
CID 124895533

Frequently Asked Questions

What is the IUPAC name of CID 101122264?
The IUPAC name of CID 101122264 (CID 101122264) is not available.
What is the SMILES notation for CID 101122264?
The canonical SMILES for CID 101122264 is CC(=O)O[C@H]1[CH][C@H]2C[C@@H]1[C@@H](OC(C)=O)C2.
What is the InChIKey of CID 101122264?
The InChIKey is ZBNDXPLSSWLARI-RCWTZXSCSA-N. The full InChI is InChI=1S/C11H15O4/c1-6(12)14-10-4-8-3-9(10)11(5-8)15-7(2)13/h4,8-11H,3,5H2,1-2H3/t8-,9+,10+,11+/m1/s1.
What are the key properties of CID 101122264?
CID 101122264 has a molecular weight of 211.24 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101122264 is sourced from PubChem (CID 101122264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).