CID 142919929

C8H5O — CID 142919929

IUPAC—
SMILESC#C[C]=C=C=C=COC
InChIInChI=1S/C8H5O/c1-3-4-5-6-7-8-9-2/h1,8H,2H3
InChIKeyUIFISEGZGIYSJT-UHFFFAOYSA-N
MW117.13 g/mol
LogP1.05
Rot. Bonds1

About CID 142919929

CID 142919929 (PubChem CID 142919929) has the molecular formula C8H5O and a molecular weight of 117.13 g/mol.

Molecular Properties

Compound NameCID 142919929
PubChem CID142919929
Molecular FormulaC8H5O
Molecular Weight117.13 g/mol
Exact Mass117.03
IUPAC Name—
SMILESC#C[C]=C=C=C=COC
InChIInChI=1S/C8H5O/c1-3-4-5-6-7-8-9-2/h1,8H,2H3
InChIKeyUIFISEGZGIYSJT-UHFFFAOYSA-N
XLogP1.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.13
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 142919929?
The IUPAC name of CID 142919929 (CID 142919929) is not available.
What is the SMILES notation for CID 142919929?
The canonical SMILES for CID 142919929 is C#C[C]=C=C=C=COC.
What is the InChIKey of CID 142919929?
The InChIKey is UIFISEGZGIYSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5O/c1-3-4-5-6-7-8-9-2/h1,8H,2H3.
What are the key properties of CID 142919929?
CID 142919929 has a molecular weight of 117.13 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142919929 is sourced from PubChem (CID 142919929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).