CID 59269015

C11H14O2 — CID 59269015

IUPAC—
SMILES[CH]C(CC)C1COC(C#C)(C=C)O1
InChIInChI=1S/C11H14O2/c1-5-9(4)10-8-12-11(6-2,7-3)13-10/h2,4,7,9-10H,3,5,8H2,1H3
InChIKeyNTFJXASXNHNPCS-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.65
Rot. Bonds3

About CID 59269015

CID 59269015 (PubChem CID 59269015) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol.

Molecular Properties

Compound NameCID 59269015
PubChem CID59269015
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name—
SMILES[CH]C(CC)C1COC(C#C)(C=C)O1
InChIInChI=1S/C11H14O2/c1-5-9(4)10-8-12-11(6-2,7-3)13-10/h2,4,7,9-10H,3,5,8H2,1H3
InChIKeyNTFJXASXNHNPCS-UHFFFAOYSA-N
XLogP1.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.65
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 59269015?
The IUPAC name of CID 59269015 (CID 59269015) is not available.
What is the SMILES notation for CID 59269015?
The canonical SMILES for CID 59269015 is [CH]C(CC)C1COC(C#C)(C=C)O1.
What is the InChIKey of CID 59269015?
The InChIKey is NTFJXASXNHNPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-5-9(4)10-8-12-11(6-2,7-3)13-10/h2,4,7,9-10H,3,5,8H2,1H3.
What are the key properties of CID 59269015?
CID 59269015 has a molecular weight of 178.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269015 is sourced from PubChem (CID 59269015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).