(5-methyl-2,3-dihydrofuran-3-yl) acetate

C7H10O3 — CID 57066065

IUPAC(5-methyl-2,3-dihydrofuran-3-yl) acetate
SMILESCC(=O)OC1C=C(C)OC1
InChIInChI=1S/C7H10O3/c1-5-3-7(4-9-5)10-6(2)8/h3,7H,4H2,1-2H3
InChIKeyKWQYFRVCRCUSLI-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.85
Rot. Bonds1

About (5-methyl-2,3-dihydrofuran-3-yl) acetate

(5-methyl-2,3-dihydrofuran-3-yl) acetate (PubChem CID 57066065) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (5-methyl-2,3-dihydrofuran-3-yl) acetate.

Molecular Properties

Compound Name(5-methyl-2,3-dihydrofuran-3-yl) acetate
PubChem CID57066065
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(5-methyl-2,3-dihydrofuran-3-yl) acetate
SMILESCC(=O)OC1C=C(C)OC1
InChIInChI=1S/C7H10O3/c1-5-3-7(4-9-5)10-6(2)8/h3,7H,4H2,1-2H3
InChIKeyKWQYFRVCRCUSLI-UHFFFAOYSA-N
XLogP0.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2E,6E,10E)-3,7,11-trimethylcyclotetradeca-2,6,10-trien-1-yl] acetate
CID 134735458
[(6R,8aS)-3,4,6,7,8,8a-hexahydro-2H-chromen-6-yl] acetate
CID 11074321
(3-prop-1-ynylcyclopent-2-en-1-yl) acetate
CID 145260813
(4-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-8-yl) acetate
CID 163048624
(4-chlorocyclohept-2-en-1-yl) acetate
CID 12936437
[(1R)-3-prop-1-en-2-ylcyclopent-2-en-1-yl] acetate
CID 56590409
[(4Z)-8-acetyloxy-5-methylcyclooct-4-en-1-yl] acetate
CID 23092778
[(5E,9E)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan-8-yl] acetate
CID 91748793
(7-oxo-6-phenyl-3,4-dihydro-2H-oxepin-4-yl) acetate
CID 10422010
(3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate
CID 90261977
[(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] acetate
CID 158066994
[(1R)-3-bromocyclohept-2-en-1-yl] acetate
CID 11333750

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2,3-dihydrofuran-3-yl) acetate?
The IUPAC name of (5-methyl-2,3-dihydrofuran-3-yl) acetate (CID 57066065) is (5-methyl-2,3-dihydrofuran-3-yl) acetate.
What is the SMILES notation for (5-methyl-2,3-dihydrofuran-3-yl) acetate?
The canonical SMILES for (5-methyl-2,3-dihydrofuran-3-yl) acetate is CC(=O)OC1C=C(C)OC1.
What is the InChIKey of (5-methyl-2,3-dihydrofuran-3-yl) acetate?
The InChIKey is KWQYFRVCRCUSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5-3-7(4-9-5)10-6(2)8/h3,7H,4H2,1-2H3.
What are the key properties of (5-methyl-2,3-dihydrofuran-3-yl) acetate?
(5-methyl-2,3-dihydrofuran-3-yl) acetate has a molecular weight of 142.15 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2,3-dihydrofuran-3-yl) acetate is sourced from PubChem (CID 57066065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).