CID 59269039

C12H14O2 — CID 59269039

IUPAC—
SMILES[CH]C(CC)C1COC(C#C)(C#C)OC1
InChIInChI=1S/C12H14O2/c1-5-10(4)11-8-13-12(6-2,7-3)14-9-11/h2-4,10-11H,5,8-9H2,1H3
InChIKeyROSVCSAKDZIGIK-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.35
Rot. Bonds2

About CID 59269039

CID 59269039 (PubChem CID 59269039) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol.

Molecular Properties

Compound NameCID 59269039
PubChem CID59269039
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name—
SMILES[CH]C(CC)C1COC(C#C)(C#C)OC1
InChIInChI=1S/C12H14O2/c1-5-10(4)11-8-13-12(6-2,7-3)14-9-11/h2-4,10-11H,5,8-9H2,1H3
InChIKeyROSVCSAKDZIGIK-UHFFFAOYSA-N
XLogP1.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59269039?
The IUPAC name of CID 59269039 (CID 59269039) is not available.
What is the SMILES notation for CID 59269039?
The canonical SMILES for CID 59269039 is [CH]C(CC)C1COC(C#C)(C#C)OC1.
What is the InChIKey of CID 59269039?
The InChIKey is ROSVCSAKDZIGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-5-10(4)11-8-13-12(6-2,7-3)14-9-11/h2-4,10-11H,5,8-9H2,1H3.
What are the key properties of CID 59269039?
CID 59269039 has a molecular weight of 190.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269039 is sourced from PubChem (CID 59269039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).