CID 139250229

C11H15O2 — CID 139250229

IUPAC—
SMILESC=C1C[C@H]2C=C[CH][C@H](O2)[C@H]1OCC
InChIInChI=1S/C11H15O2/c1-3-12-11-8(2)7-9-5-4-6-10(11)13-9/h4-6,9-11H,2-3,7H2,1H3/t9-,10+,11+/m1/s1
InChIKeyXIFFWNRZASQMGE-VWYCJHECSA-N
MW179.24 g/mol
LogP1.88
Rot. Bonds2

About CID 139250229

CID 139250229 (PubChem CID 139250229) has the molecular formula C11H15O2 and a molecular weight of 179.24 g/mol.

Molecular Properties

Compound NameCID 139250229
PubChem CID139250229
Molecular FormulaC11H15O2
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name—
SMILESC=C1C[C@H]2C=C[CH][C@H](O2)[C@H]1OCC
InChIInChI=1S/C11H15O2/c1-3-12-11-8(2)7-9-5-4-6-10(11)13-9/h4-6,9-11H,2-3,7H2,1H3/t9-,10+,11+/m1/s1
InChIKeyXIFFWNRZASQMGE-VWYCJHECSA-N
XLogP1.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 139250229?
The IUPAC name of CID 139250229 (CID 139250229) is not available.
What is the SMILES notation for CID 139250229?
The canonical SMILES for CID 139250229 is C=C1C[C@H]2C=C[CH][C@H](O2)[C@H]1OCC.
What is the InChIKey of CID 139250229?
The InChIKey is XIFFWNRZASQMGE-VWYCJHECSA-N. The full InChI is InChI=1S/C11H15O2/c1-3-12-11-8(2)7-9-5-4-6-10(11)13-9/h4-6,9-11H,2-3,7H2,1H3/t9-,10+,11+/m1/s1.
What are the key properties of CID 139250229?
CID 139250229 has a molecular weight of 179.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139250229 is sourced from PubChem (CID 139250229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).