CID 59269164

C8H10O2 — CID 59269164

IUPAC—
SMILES[CH]C1COC(C=C)(C=C)O1
InChIInChI=1S/C8H10O2/c1-4-8(5-2)9-6-7(3)10-8/h3-5,7H,1-2,6H2
InChIKeyXFFMNZJMQVHBSJ-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.18
Rot. Bonds2

About CID 59269164

CID 59269164 (PubChem CID 59269164) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol.

Molecular Properties

Compound NameCID 59269164
PubChem CID59269164
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name—
SMILES[CH]C1COC(C=C)(C=C)O1
InChIInChI=1S/C8H10O2/c1-4-8(5-2)9-6-7(3)10-8/h3-5,7H,1-2,6H2
InChIKeyXFFMNZJMQVHBSJ-UHFFFAOYSA-N
XLogP1.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59269164?
The IUPAC name of CID 59269164 (CID 59269164) is not available.
What is the SMILES notation for CID 59269164?
The canonical SMILES for CID 59269164 is [CH]C1COC(C=C)(C=C)O1.
What is the InChIKey of CID 59269164?
The InChIKey is XFFMNZJMQVHBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-4-8(5-2)9-6-7(3)10-8/h3-5,7H,1-2,6H2.
What are the key properties of CID 59269164?
CID 59269164 has a molecular weight of 138.17 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269164 is sourced from PubChem (CID 59269164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).