CID 59269649

C10H14O2 — CID 59269649

IUPAC—
SMILES[CH]C(C)C1COC(C)(C#C)OC1
InChIInChI=1S/C10H14O2/c1-5-10(4)11-6-9(7-12-10)8(2)3/h1-2,8-9H,6-7H2,3-4H3
InChIKeyHVIBUXJEMTZOOV-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.35
Rot. Bonds1

About CID 59269649

CID 59269649 (PubChem CID 59269649) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol.

Molecular Properties

Compound NameCID 59269649
PubChem CID59269649
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name—
SMILES[CH]C(C)C1COC(C)(C#C)OC1
InChIInChI=1S/C10H14O2/c1-5-10(4)11-6-9(7-12-10)8(2)3/h1-2,8-9H,6-7H2,3-4H3
InChIKeyHVIBUXJEMTZOOV-UHFFFAOYSA-N
XLogP1.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
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 59269649?
The IUPAC name of CID 59269649 (CID 59269649) is not available.
What is the SMILES notation for CID 59269649?
The canonical SMILES for CID 59269649 is [CH]C(C)C1COC(C)(C#C)OC1.
What is the InChIKey of CID 59269649?
The InChIKey is HVIBUXJEMTZOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-10(4)11-6-9(7-12-10)8(2)3/h1-2,8-9H,6-7H2,3-4H3.
What are the key properties of CID 59269649?
CID 59269649 has a molecular weight of 166.22 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269649 is sourced from PubChem (CID 59269649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).