CID 59269625

C12H18O2 — CID 59269625

IUPAC—
SMILES[CH]C(CC)C1COC(C=C)(C=C)OC1
InChIInChI=1S/C12H18O2/c1-5-10(4)11-8-13-12(6-2,7-3)14-9-11/h4,6-7,10-11H,2-3,5,8-9H2,1H3
InChIKeyLAQFXKFHFNYLFD-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.45
Rot. Bonds4

About CID 59269625

CID 59269625 (PubChem CID 59269625) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol.

Molecular Properties

Compound NameCID 59269625
PubChem CID59269625
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name—
SMILES[CH]C(CC)C1COC(C=C)(C=C)OC1
InChIInChI=1S/C12H18O2/c1-5-10(4)11-8-13-12(6-2,7-3)14-9-11/h4,6-7,10-11H,2-3,5,8-9H2,1H3
InChIKeyLAQFXKFHFNYLFD-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.45
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 59269625?
The IUPAC name of CID 59269625 (CID 59269625) is not available.
What is the SMILES notation for CID 59269625?
The canonical SMILES for CID 59269625 is [CH]C(CC)C1COC(C=C)(C=C)OC1.
What is the InChIKey of CID 59269625?
The InChIKey is LAQFXKFHFNYLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-5-10(4)11-8-13-12(6-2,7-3)14-9-11/h4,6-7,10-11H,2-3,5,8-9H2,1H3.
What are the key properties of CID 59269625?
CID 59269625 has a molecular weight of 194.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269625 is sourced from PubChem (CID 59269625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).