CID 157225905

C10H14O3 — CID 157225905

IUPAC—
SMILESC=C=CC(=C=C)C(CO)(CO)CO
InChIInChI=1S/C10H14O3/c1-3-5-9(4-2)10(6-11,7-12)8-13/h5,11-13H,1-2,6-8H2
InChIKeyATNOGXKLRAPTIY-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.00
Rot. Bonds5

About CID 157225905

CID 157225905 (PubChem CID 157225905) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol.

Molecular Properties

Compound NameCID 157225905
PubChem CID157225905
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name—
SMILESC=C=CC(=C=C)C(CO)(CO)CO
InChIInChI=1S/C10H14O3/c1-3-5-9(4-2)10(6-11,7-12)8-13/h5,11-13H,1-2,6-8H2
InChIKeyATNOGXKLRAPTIY-UHFFFAOYSA-N
XLogP0.00
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 157225905?
The IUPAC name of CID 157225905 (CID 157225905) is not available.
What is the SMILES notation for CID 157225905?
The canonical SMILES for CID 157225905 is C=C=CC(=C=C)C(CO)(CO)CO.
What is the InChIKey of CID 157225905?
The InChIKey is ATNOGXKLRAPTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-5-9(4-2)10(6-11,7-12)8-13/h5,11-13H,1-2,6-8H2.
What are the key properties of CID 157225905?
CID 157225905 has a molecular weight of 182.22 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157225905 is sourced from PubChem (CID 157225905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).