CID 59269155

C11H12O2 — CID 59269155

IUPAC—
SMILES[CH]CCC1COC(C#C)(C#C)OC1
InChIInChI=1S/C11H12O2/c1-4-7-10-8-12-11(5-2,6-3)13-9-10/h1-3,10H,4,7-9H2
InChIKeyGWDHGHCUEPAIHW-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.10
Rot. Bonds2

About CID 59269155

CID 59269155 (PubChem CID 59269155) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol.

Molecular Properties

Compound NameCID 59269155
PubChem CID59269155
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name—
SMILES[CH]CCC1COC(C#C)(C#C)OC1
InChIInChI=1S/C11H12O2/c1-4-7-10-8-12-11(5-2,6-3)13-9-10/h1-3,10H,4,7-9H2
InChIKeyGWDHGHCUEPAIHW-UHFFFAOYSA-N
XLogP1.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

CID 59269013
CID 59269013
CID 59269039
CID 59269039
CID 59269171
CID 59269171
CID 59269296
CID 59269296
CID 59269352
CID 59269352
CID 59269383
CID 59269383
CID 59269639
CID 59269639
CID 59269645
CID 59269645
CID 59269649
CID 59269649
5-Ethyl-2,2-diethynyl-1,3-dioxane
CID 89076495
5-Ethyl-2-ethynyl-2-methyl-1,3-dioxane
CID 89076498
2,2-Diethynyl-5-propan-2-yl-1,3-dioxane
CID 89076526

Frequently Asked Questions

What is the IUPAC name of CID 59269155?
The IUPAC name of CID 59269155 (CID 59269155) is not available.
What is the SMILES notation for CID 59269155?
The canonical SMILES for CID 59269155 is [CH]CCC1COC(C#C)(C#C)OC1.
What is the InChIKey of CID 59269155?
The InChIKey is GWDHGHCUEPAIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-4-7-10-8-12-11(5-2,6-3)13-9-10/h1-3,10H,4,7-9H2.
What are the key properties of CID 59269155?
CID 59269155 has a molecular weight of 176.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269155 is sourced from PubChem (CID 59269155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).