2,2-dimethoxy-5-methyl-3H-furan

C7H12O3 — CID 12570620

IUPAC2,2-dimethoxy-5-methyl-3H-furan
SMILESCOC1(OC)CC=C(C)O1
InChIInChI=1S/C7H12O3/c1-6-4-5-7(8-2,9-3)10-6/h4H,5H2,1-3H3
InChIKeyUUMOYOWMVUSAMW-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.26
Rot. Bonds2

About 2,2-dimethoxy-5-methyl-3H-furan

2,2-dimethoxy-5-methyl-3H-furan (PubChem CID 12570620) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2,2-dimethoxy-5-methyl-3H-furan.

Molecular Properties

Compound Name2,2-dimethoxy-5-methyl-3H-furan
PubChem CID12570620
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2,2-dimethoxy-5-methyl-3H-furan
SMILESCOC1(OC)CC=C(C)O1
InChIInChI=1S/C7H12O3/c1-6-4-5-7(8-2,9-3)10-6/h4H,5H2,1-3H3
InChIKeyUUMOYOWMVUSAMW-UHFFFAOYSA-N
XLogP1.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-3H-furan-2-amine
CID 66616310
2-dimethoxyphosphoryl-2,5-dimethyl-3H-furan
CID 23269100
2-methyl-1-oxaspiro[4.5]dec-2-ene
CID 11367104
N,N'-bis(2,5-dimethyl-3H-furan-2-yl)ethane-1,2-diamine
CID 70249143
2,6-dimethyl-4H-pyran;ethane
CID 143762964
3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile
CID 10924629
2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran
CID 12679185
2-methoxy-2,5-diphenyl-3H-furan
CID 13263851
4-methoxy-4-methyl-1-propan-2-ylcyclohexene
CID 14113117
6-ethyl-2-methoxy-2,5-dimethyl-3,4-dihydropyran
CID 163882109
N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline
CID 163905978
2-methoxy-5-(methoxymethyl)-5-methylcyclohexa-1,3-diene
CID 118295543

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-5-methyl-3H-furan?
The IUPAC name of 2,2-dimethoxy-5-methyl-3H-furan (CID 12570620) is 2,2-dimethoxy-5-methyl-3H-furan.
What is the SMILES notation for 2,2-dimethoxy-5-methyl-3H-furan?
The canonical SMILES for 2,2-dimethoxy-5-methyl-3H-furan is COC1(OC)CC=C(C)O1.
What is the InChIKey of 2,2-dimethoxy-5-methyl-3H-furan?
The InChIKey is UUMOYOWMVUSAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-6-4-5-7(8-2,9-3)10-6/h4H,5H2,1-3H3.
What are the key properties of 2,2-dimethoxy-5-methyl-3H-furan?
2,2-dimethoxy-5-methyl-3H-furan has a molecular weight of 144.17 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-5-methyl-3H-furan is sourced from PubChem (CID 12570620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).