CID 59269568

C11H14O2 — CID 59269568

IUPAC—
SMILES[CH]C(C)C1COC(C#C)(C=C)OC1
InChIInChI=1S/C11H14O2/c1-5-11(6-2)12-7-10(8-13-11)9(3)4/h1,3,6,9-10H,2,7-8H2,4H3
InChIKeyWRMSMAGXLCIJMO-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.51
Rot. Bonds2

About CID 59269568

CID 59269568 (PubChem CID 59269568) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol.

Molecular Properties

Compound NameCID 59269568
PubChem CID59269568
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name—
SMILES[CH]C(C)C1COC(C#C)(C=C)OC1
InChIInChI=1S/C11H14O2/c1-5-11(6-2)12-7-10(8-13-11)9(3)4/h1,3,6,9-10H,2,7-8H2,4H3
InChIKeyWRMSMAGXLCIJMO-UHFFFAOYSA-N
XLogP1.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59269568?
The IUPAC name of CID 59269568 (CID 59269568) is not available.
What is the SMILES notation for CID 59269568?
The canonical SMILES for CID 59269568 is [CH]C(C)C1COC(C#C)(C=C)OC1.
What is the InChIKey of CID 59269568?
The InChIKey is WRMSMAGXLCIJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-5-11(6-2)12-7-10(8-13-11)9(3)4/h1,3,6,9-10H,2,7-8H2,4H3.
What are the key properties of CID 59269568?
CID 59269568 has a molecular weight of 178.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269568 is sourced from PubChem (CID 59269568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).