CID 59269215

C11H16O2 — CID 59269215

IUPAC—
SMILES[CH]CCC1COC(C=C)(C=C)OC1
InChIInChI=1S/C11H16O2/c1-4-7-10-8-12-11(5-2,6-3)13-9-10/h1,5-6,10H,2-4,7-9H2
InChIKeyUNBPGXLCRIFSQU-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.21
Rot. Bonds4

About CID 59269215

CID 59269215 (PubChem CID 59269215) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol.

Molecular Properties

Compound NameCID 59269215
PubChem CID59269215
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name—
SMILES[CH]CCC1COC(C=C)(C=C)OC1
InChIInChI=1S/C11H16O2/c1-4-7-10-8-12-11(5-2,6-3)13-9-10/h1,5-6,10H,2-4,7-9H2
InChIKeyUNBPGXLCRIFSQU-UHFFFAOYSA-N
XLogP2.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.21
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 59269215?
The IUPAC name of CID 59269215 (CID 59269215) is not available.
What is the SMILES notation for CID 59269215?
The canonical SMILES for CID 59269215 is [CH]CCC1COC(C=C)(C=C)OC1.
What is the InChIKey of CID 59269215?
The InChIKey is UNBPGXLCRIFSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-7-10-8-12-11(5-2,6-3)13-9-10/h1,5-6,10H,2-4,7-9H2.
What are the key properties of CID 59269215?
CID 59269215 has a molecular weight of 180.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269215 is sourced from PubChem (CID 59269215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).