CID 134964184

C10H14O2+ — CID 134964184

IUPAC—
SMILESCOC1=C[C](C)C(C)=C/C1=[O+]\C
InChIInChI=1S/C10H14O2/c1-7-5-9(11-3)10(12-4)6-8(7)2/h5-6H,1-4H3/q+1
InChIKeyCGWUJAOXCXSNFJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.81
Rot. Bonds1

About CID 134964184

CID 134964184 (PubChem CID 134964184) has the molecular formula C10H14O2+ and a molecular weight of 166.22 g/mol.

Molecular Properties

Compound NameCID 134964184
PubChem CID134964184
Molecular FormulaC10H14O2+
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name—
SMILESCOC1=C[C](C)C(C)=C/C1=[O+]\C
InChIInChI=1S/C10H14O2/c1-7-5-9(11-3)10(12-4)6-8(7)2/h5-6H,1-4H3/q+1
InChIKeyCGWUJAOXCXSNFJ-UHFFFAOYSA-N
XLogP1.81
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134964184?
The IUPAC name of CID 134964184 (CID 134964184) is not available.
What is the SMILES notation for CID 134964184?
The canonical SMILES for CID 134964184 is COC1=C[C](C)C(C)=C/C1=[O+]\C.
What is the InChIKey of CID 134964184?
The InChIKey is CGWUJAOXCXSNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-5-9(11-3)10(12-4)6-8(7)2/h5-6H,1-4H3/q+1.
What are the key properties of CID 134964184?
CID 134964184 has a molecular weight of 166.22 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134964184 is sourced from PubChem (CID 134964184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).