2,5-dihydrofuran;hydrate

C4H8O2 — CID 67567074

IUPAC2,5-dihydrofuran;hydrate
SMILESC1=CCOC1.O
InChIInChI=1S/C4H6O.H2O/c1-2-4-5-3-1;/h1-2H,3-4H2;1H2
InChIKeyYJNRHMPZGAVHKK-UHFFFAOYSA-N
MW88.11 g/mol
LogP-0.25
Rot. Bonds

About 2,5-dihydrofuran;hydrate

2,5-dihydrofuran;hydrate (PubChem CID 67567074) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is 2,5-dihydrofuran;hydrate.

Molecular Properties

Compound Name2,5-dihydrofuran;hydrate
PubChem CID67567074
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Name2,5-dihydrofuran;hydrate
SMILESC1=CCOC1.O
InChIInChI=1S/C4H6O.H2O/c1-2-4-5-3-1;/h1-2H,3-4H2;1H2
InChIKeyYJNRHMPZGAVHKK-UHFFFAOYSA-N
XLogP-0.25
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dihydrofuran
CID 15570
(Z)-1,4-dimethoxybut-2-ene
CID 5386697
Trans-1,4-dimethoxy-2-butene
CID 5362882
2-Butenyl ethyl ether
CID 5358345
Ethoxybut-2-ene
CID 316613
CID 357657
CID 357657
(2e)-1-Allyloxy-2-butene
CID 11815317
2-Butene, 1-propoxy-
CID 5364597
(3Z,8Z)-2,5,7,10-tetrahydro-1,6-dioxecine
CID 88003157
2,5-Dihydrofuran hydrogen bromide
CID 129657480
2,5-Dihydrofuran hydrogen fluoride
CID 129657684
2,5-Dihydrofuran hydrogen chloride
CID 129657717

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydrofuran;hydrate?
The IUPAC name of 2,5-dihydrofuran;hydrate (CID 67567074) is 2,5-dihydrofuran;hydrate.
What is the SMILES notation for 2,5-dihydrofuran;hydrate?
The canonical SMILES for 2,5-dihydrofuran;hydrate is C1=CCOC1.O.
What is the InChIKey of 2,5-dihydrofuran;hydrate?
The InChIKey is YJNRHMPZGAVHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.H2O/c1-2-4-5-3-1;/h1-2H,3-4H2;1H2.
What are the key properties of 2,5-dihydrofuran;hydrate?
2,5-dihydrofuran;hydrate has a molecular weight of 88.11 g/mol, XLogP of -0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydrofuran;hydrate is sourced from PubChem (CID 67567074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).