3-methyl-2,5-dihydrofuran-2-ol

C5H8O2 — CID 70241770

IUPAC3-methyl-2,5-dihydrofuran-2-ol
SMILESCC1=CCOC1O
InChIInChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h2,5-6H,3H2,1H3
InChIKeyBLDYRXBZKMGKAU-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.28
Rot. Bonds

About 3-methyl-2,5-dihydrofuran-2-ol

3-methyl-2,5-dihydrofuran-2-ol (PubChem CID 70241770) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 3-methyl-2,5-dihydrofuran-2-ol.

Molecular Properties

Compound Name3-methyl-2,5-dihydrofuran-2-ol
PubChem CID70241770
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name3-methyl-2,5-dihydrofuran-2-ol
SMILESCC1=CCOC1O
InChIInChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h2,5-6H,3H2,1H3
InChIKeyBLDYRXBZKMGKAU-UHFFFAOYSA-N
XLogP0.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dihydrofuran-2-ol
CID 15153562
2,5-Dihydroxy-2,5-dihydrofuran
CID 15399408
(E)-3-(1,3-dioxolan-2-yl)but-2-en-1-ol
CID 21729898
(E)-4-fluoro-1-methoxy-3-methylbut-2-en-1-ol
CID 130240920
(2S)-4-methyl-2H-furan-2,5,5-triol
CID 171905191
cis-2,5-Dihydroxy-2,5-dihydrofuran
CID 71442334
(E)-4,4-diethoxy-3-methylbut-2-en-1-ol
CID 92016013
3-Crotyloxy-1,3-propanediol
CID 129778004
5-Ethoxy-2-hydroxy-2,5-dihydrofuran
CID 129796286
Furan, 2,5-dihydro-2,5-dimethoxy-3-methyl-
CID 10606863
(E)-4,4-dimethoxy-3-methylbut-2-en-1-ol
CID 13896909
1-(2-Methylprop-2-enoxy)ethanol
CID 18401096

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-dihydrofuran-2-ol?
The IUPAC name of 3-methyl-2,5-dihydrofuran-2-ol (CID 70241770) is 3-methyl-2,5-dihydrofuran-2-ol.
What is the SMILES notation for 3-methyl-2,5-dihydrofuran-2-ol?
The canonical SMILES for 3-methyl-2,5-dihydrofuran-2-ol is CC1=CCOC1O.
What is the InChIKey of 3-methyl-2,5-dihydrofuran-2-ol?
The InChIKey is BLDYRXBZKMGKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h2,5-6H,3H2,1H3.
What are the key properties of 3-methyl-2,5-dihydrofuran-2-ol?
3-methyl-2,5-dihydrofuran-2-ol has a molecular weight of 100.12 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5-dihydrofuran-2-ol is sourced from PubChem (CID 70241770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).