CID 59269645

C10H14O2 — CID 59269645

IUPAC—
SMILES[CH]CCC1COC(C)(C#C)OC1
InChIInChI=1S/C10H14O2/c1-4-6-9-7-11-10(3,5-2)12-8-9/h1-2,9H,4,6-8H2,3H3
InChIKeyFQGJNOUMBNYOGG-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.49
Rot. Bonds2

About CID 59269645

CID 59269645 (PubChem CID 59269645) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol.

Molecular Properties

Compound NameCID 59269645
PubChem CID59269645
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name—
SMILES[CH]CCC1COC(C)(C#C)OC1
InChIInChI=1S/C10H14O2/c1-4-6-9-7-11-10(3,5-2)12-8-9/h1-2,9H,4,6-8H2,3H3
InChIKeyFQGJNOUMBNYOGG-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 59269645?
The IUPAC name of CID 59269645 (CID 59269645) is not available.
What is the SMILES notation for CID 59269645?
The canonical SMILES for CID 59269645 is [CH]CCC1COC(C)(C#C)OC1.
What is the InChIKey of CID 59269645?
The InChIKey is FQGJNOUMBNYOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-6-9-7-11-10(3,5-2)12-8-9/h1-2,9H,4,6-8H2,3H3.
What are the key properties of CID 59269645?
CID 59269645 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 59269645 is sourced from PubChem (CID 59269645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).