CID 160911689

C10H17O2+ — CID 160911689

IUPAC—
SMILESC=[O+]C1=CC(O)C(C)C(CC)C1
InChIInChI=1S/C10H17O2/c1-4-8-5-9(12-3)6-10(11)7(8)2/h6-8,10-11H,3-5H2,1-2H3/q+1
InChIKeySQWHIIWRKXDUGM-UHFFFAOYSA-N
MW169.24 g/mol
LogP1.66
Rot. Bonds2

About CID 160911689

CID 160911689 (PubChem CID 160911689) has the molecular formula C10H17O2+ and a molecular weight of 169.24 g/mol.

Molecular Properties

Compound NameCID 160911689
PubChem CID160911689
Molecular FormulaC10H17O2+
Molecular Weight169.24 g/mol
Exact Mass169.12
IUPAC Name—
SMILESC=[O+]C1=CC(O)C(C)C(CC)C1
InChIInChI=1S/C10H17O2/c1-4-8-5-9(12-3)6-10(11)7(8)2/h6-8,10-11H,3-5H2,1-2H3/q+1
InChIKeySQWHIIWRKXDUGM-UHFFFAOYSA-N
XLogP1.66
TPSA31.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
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 160911689?
The IUPAC name of CID 160911689 (CID 160911689) is not available.
What is the SMILES notation for CID 160911689?
The canonical SMILES for CID 160911689 is C=[O+]C1=CC(O)C(C)C(CC)C1.
What is the InChIKey of CID 160911689?
The InChIKey is SQWHIIWRKXDUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O2/c1-4-8-5-9(12-3)6-10(11)7(8)2/h6-8,10-11H,3-5H2,1-2H3/q+1.
What are the key properties of CID 160911689?
CID 160911689 has a molecular weight of 169.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160911689 is sourced from PubChem (CID 160911689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).