CID 168797041

C10H10OW2 — CID 168797041

IUPAC—
SMILESC=C(/C=C\C=[W])OC=C/C=C\C=[W]
InChIInChI=1S/C10H10O.2W/c1-4-6-7-9-11-10(3)8-5-2;;/h1-2,4-9H,3H2;;/b6-4-,8-5-,9-7?;;
InChIKeyNEZCHOZTTYJIMX-CTNNTULPSA-N
MW513.87 g/mol
LogP1.84
Rot. Bonds6

About CID 168797041

CID 168797041 (PubChem CID 168797041) has the molecular formula C10H10OW2 and a molecular weight of 513.87 g/mol.

Molecular Properties

Compound NameCID 168797041
PubChem CID168797041
Molecular FormulaC10H10OW2
Molecular Weight513.87 g/mol
Exact Mass513.98
IUPAC Name—
SMILESC=C(/C=C\C=[W])OC=C/C=C\C=[W]
InChIInChI=1S/C10H10O.2W/c1-4-6-7-9-11-10(3)8-5-2;;/h1-2,4-9H,3H2;;/b6-4-,8-5-,9-7?;;
InChIKeyNEZCHOZTTYJIMX-CTNNTULPSA-N
XLogP1.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.87
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 168797041?
The IUPAC name of CID 168797041 (CID 168797041) is not available.
What is the SMILES notation for CID 168797041?
The canonical SMILES for CID 168797041 is C=C(/C=C\C=[W])OC=C/C=C\C=[W].
What is the InChIKey of CID 168797041?
The InChIKey is NEZCHOZTTYJIMX-CTNNTULPSA-N. The full InChI is InChI=1S/C10H10O.2W/c1-4-6-7-9-11-10(3)8-5-2;;/h1-2,4-9H,3H2;;/b6-4-,8-5-,9-7?;;.
What are the key properties of CID 168797041?
CID 168797041 has a molecular weight of 513.87 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168797041 is sourced from PubChem (CID 168797041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).