CID 11642541

C11H13O3 — CID 11642541

IUPAC—
SMILESO=C1CCC[C@H]([C@@H]2O[CH][CH][CH]C2=O)C1
InChIInChI=1S/C11H13O3/c12-9-4-1-3-8(7-9)11-10(13)5-2-6-14-11/h2,5-6,8,11H,1,3-4,7H2/t8-,11-/m0/s1
InChIKeySZBDFYDGTALUNA-KWQFWETISA-N
MW193.22 g/mol
LogP1.28
Rot. Bonds1

About CID 11642541

CID 11642541 (PubChem CID 11642541) has the molecular formula C11H13O3 and a molecular weight of 193.22 g/mol.

Molecular Properties

Compound NameCID 11642541
PubChem CID11642541
Molecular FormulaC11H13O3
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name—
SMILESO=C1CCC[C@H]([C@@H]2O[CH][CH][CH]C2=O)C1
InChIInChI=1S/C11H13O3/c12-9-4-1-3-8(7-9)11-10(13)5-2-6-14-11/h2,5-6,8,11H,1,3-4,7H2/t8-,11-/m0/s1
InChIKeySZBDFYDGTALUNA-KWQFWETISA-N
XLogP1.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 11642541?
The IUPAC name of CID 11642541 (CID 11642541) is not available.
What is the SMILES notation for CID 11642541?
The canonical SMILES for CID 11642541 is O=C1CCC[C@H]([C@@H]2O[CH][CH][CH]C2=O)C1.
What is the InChIKey of CID 11642541?
The InChIKey is SZBDFYDGTALUNA-KWQFWETISA-N. The full InChI is InChI=1S/C11H13O3/c12-9-4-1-3-8(7-9)11-10(13)5-2-6-14-11/h2,5-6,8,11H,1,3-4,7H2/t8-,11-/m0/s1.
What are the key properties of CID 11642541?
CID 11642541 has a molecular weight of 193.22 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11642541 is sourced from PubChem (CID 11642541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).