CID 59269476

C10H12O2 — CID 59269476

IUPAC—
SMILES[CH]C(C)C1COC(C#C)(C=C)O1
InChIInChI=1S/C10H12O2/c1-5-10(6-2)11-7-9(12-10)8(3)4/h1,3,6,8-9H,2,7H2,4H3
InChIKeyVAFYOCYLQDTMFL-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.26
Rot. Bonds2

About CID 59269476

CID 59269476 (PubChem CID 59269476) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol.

Molecular Properties

Compound NameCID 59269476
PubChem CID59269476
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name—
SMILES[CH]C(C)C1COC(C#C)(C=C)O1
InChIInChI=1S/C10H12O2/c1-5-10(6-2)11-7-9(12-10)8(3)4/h1,3,6,8-9H,2,7H2,4H3
InChIKeyVAFYOCYLQDTMFL-UHFFFAOYSA-N
XLogP1.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.26
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 59269476?
The IUPAC name of CID 59269476 (CID 59269476) is not available.
What is the SMILES notation for CID 59269476?
The canonical SMILES for CID 59269476 is [CH]C(C)C1COC(C#C)(C=C)O1.
What is the InChIKey of CID 59269476?
The InChIKey is VAFYOCYLQDTMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-5-10(6-2)11-7-9(12-10)8(3)4/h1,3,6,8-9H,2,7H2,4H3.
What are the key properties of CID 59269476?
CID 59269476 has a molecular weight of 164.20 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269476 is sourced from PubChem (CID 59269476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).