2-penta-1,3-diynoxyoxane

C10H12O2 — CID 19438450

IUPAC2-penta-1,3-diynoxyoxane
SMILESCC#CC#COC1CCCCO1
InChIInChI=1S/C10H12O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h10H,4,6-7,9H2,1H3
InChIKeyWGUMAVXSUJQQTR-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.51
Rot. Bonds1

About 2-penta-1,3-diynoxyoxane

2-penta-1,3-diynoxyoxane (PubChem CID 19438450) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-penta-1,3-diynoxyoxane.

Molecular Properties

Compound Name2-penta-1,3-diynoxyoxane
PubChem CID19438450
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-penta-1,3-diynoxyoxane
SMILESCC#CC#COC1CCCCO1
InChIInChI=1S/C10H12O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h10H,4,6-7,9H2,1H3
InChIKeyWGUMAVXSUJQQTR-UHFFFAOYSA-N
XLogP1.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-penta-1,3-diynoxyoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;2-(2-methylpropoxy)oxane
CID 159580205
2-hepta-1,6-diynoxyoxane
CID 167093418
2-methoxyoxepane
CID 24974084
2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane
CID 18680583
2-(1-ethoxybut-2-ynoxy)oxane
CID 90824758
methane;N-(oxan-2-yloxy)methanimine
CID 159649356
2-[(E)-prop-1-enoxy]oxane
CID 12835881
dimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane
CID 163749083
ethane;formaldehyde;methane;2-methoxyoxane
CID 161263277
magnesium;2-ethoxyoxane;dichloride
CID 158421621
2-cycloheptyloxyoxane
CID 11735764
methoxycyclohexane;methoxycyclopentane;2-methoxyoxane;2-methoxyoxolane
CID 157095286

Frequently Asked Questions

What is the IUPAC name of 2-penta-1,3-diynoxyoxane?
The IUPAC name of 2-penta-1,3-diynoxyoxane (CID 19438450) is 2-penta-1,3-diynoxyoxane.
What is the SMILES notation for 2-penta-1,3-diynoxyoxane?
The canonical SMILES for 2-penta-1,3-diynoxyoxane is CC#CC#COC1CCCCO1.
What is the InChIKey of 2-penta-1,3-diynoxyoxane?
The InChIKey is WGUMAVXSUJQQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h10H,4,6-7,9H2,1H3.
What are the key properties of 2-penta-1,3-diynoxyoxane?
2-penta-1,3-diynoxyoxane has a molecular weight of 164.20 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-penta-1,3-diynoxyoxane is sourced from PubChem (CID 19438450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).