2-pentoxyoxane

C10H20O2 — CID 559026

IUPAC2-pentoxyoxane
SMILESCCCCCOC1CCCCO1
InChIInChI=1S/C10H20O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h10H,2-9H2,1H3
InChIKeyJDYPJKLAPQWFTP-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.72
Rot. Bonds5

About 2-pentoxyoxane

2-pentoxyoxane (PubChem CID 559026) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-pentoxyoxane.

Molecular Properties

Compound Name2-pentoxyoxane
PubChem CID559026
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-pentoxyoxane
SMILESCCCCCOC1CCCCO1
InChIInChI=1S/C10H20O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h10H,2-9H2,1H3
InChIKeyJDYPJKLAPQWFTP-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-pentoxyoxane 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

Pentane, 1-(1-ethoxyethoxy)-
CID 114523
1,1-Diethoxypentane
CID 77223
Tetrahydro-2-(2-propynyloxy)-2H-pyran
CID 98609
Valeraldehyde dibutyl acetal
CID 22011445
1-(1-Ethoxybutoxy)pentane
CID 53422437
2-Methoxytetrahydropyran
CID 23057
1,3,5-Trioxane, 2,4,6-tripropyl-
CID 75453
2,6-Diethoxytetrahydropyran
CID 261532
1,1'-(Ethylidenebis(oxy))bispentane
CID 83035
Tetrahydro-2-(2-methylpropoxy)-2H-pyran
CID 98296
2-Ethoxyoxane
CID 256818
2H-Pyran, tetrahydro-2,6-dimethoxy-
CID 110907

Frequently Asked Questions

What is the IUPAC name of 2-pentoxyoxane?
The IUPAC name of 2-pentoxyoxane (CID 559026) is 2-pentoxyoxane.
What is the SMILES notation for 2-pentoxyoxane?
The canonical SMILES for 2-pentoxyoxane is CCCCCOC1CCCCO1.
What is the InChIKey of 2-pentoxyoxane?
The InChIKey is JDYPJKLAPQWFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h10H,2-9H2,1H3.
What are the key properties of 2-pentoxyoxane?
2-pentoxyoxane has a molecular weight of 172.27 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxyoxane is sourced from PubChem (CID 559026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).