CID 59269130

C10H14O2 — CID 59269130

IUPAC—
SMILES[CH]C(CC)C1COC(C)(C#C)O1
InChIInChI=1S/C10H14O2/c1-5-8(3)9-7-11-10(4,6-2)12-9/h2-3,8-9H,5,7H2,1,4H3
InChIKeyTYYVWXOVJGHAEQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.49
Rot. Bonds2

About CID 59269130

CID 59269130 (PubChem CID 59269130) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol.

Molecular Properties

Compound NameCID 59269130
PubChem CID59269130
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name—
SMILES[CH]C(CC)C1COC(C)(C#C)O1
InChIInChI=1S/C10H14O2/c1-5-8(3)9-7-11-10(4,6-2)12-9/h2-3,8-9H,5,7H2,1,4H3
InChIKeyTYYVWXOVJGHAEQ-UHFFFAOYSA-N
XLogP1.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.49
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 59269130?
The IUPAC name of CID 59269130 (CID 59269130) is not available.
What is the SMILES notation for CID 59269130?
The canonical SMILES for CID 59269130 is [CH]C(CC)C1COC(C)(C#C)O1.
What is the InChIKey of CID 59269130?
The InChIKey is TYYVWXOVJGHAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-8(3)9-7-11-10(4,6-2)12-9/h2-3,8-9H,5,7H2,1,4H3.
What are the key properties of CID 59269130?
CID 59269130 has a molecular weight of 166.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269130 is sourced from PubChem (CID 59269130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).