cyclopropyl 2,4-dimethylfuran-3-carboxylate

C10H12O3 — CID 126987964

IUPACcyclopropyl 2,4-dimethylfuran-3-carboxylate
SMILESCc1coc(C)c1C(=O)OC1CC1
InChIInChI=1S/C10H12O3/c1-6-5-12-7(2)9(6)10(11)13-8-3-4-8/h5,8H,3-4H2,1-2H3
InChIKeyXCTJKTLYVOWPDE-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.22
Rot. Bonds2

About cyclopropyl 2,4-dimethylfuran-3-carboxylate

cyclopropyl 2,4-dimethylfuran-3-carboxylate (PubChem CID 126987964) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is cyclopropyl 2,4-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namecyclopropyl 2,4-dimethylfuran-3-carboxylate
PubChem CID126987964
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namecyclopropyl 2,4-dimethylfuran-3-carboxylate
SMILESCc1coc(C)c1C(=O)OC1CC1
InChIInChI=1S/C10H12O3/c1-6-5-12-7(2)9(6)10(11)13-8-3-4-8/h5,8H,3-4H2,1-2H3
InChIKeyXCTJKTLYVOWPDE-UHFFFAOYSA-N
XLogP2.22
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

prop-2-ynyl 2,4-dimethylfuran-3-carboxylate
CID 130610567
cyanomethyl 2,4-dimethylfuran-3-carboxylate
CID 130718998
N-cyclopentyl-N-methoxy-2,4-dimethylfuran-3-carboxamide
CID 21496541
cyclobutyl 3-methylfuran-2-carboxylate
CID 131114203
cyclobutyl 2-methylfuran-3-carboxylate
CID 130662591
cyclohexyl 5-methylfuran-3-carboxylate
CID 23661320
cyclopropyl 1,2-oxazole-4-carboxylate
CID 145039827
N-ethyl-N,2,4-trimethylfuran-3-carboxamide
CID 131084548
[4-[4-(2,4-dimethylbenzoyl)peroxycyclohexyl]oxycarbonyloxycyclohexyl] 2,4-dimethylbenzenecarboperoxoate
CID 139901186
ethyl 4-acetyl-5-methylfuran-3-carboxylate
CID 135057105
dicyclohexyl furan-3,4-dicarboxylate
CID 71348415
4-(2,4-dimethylfuran-3-carbonyl)piperazine-1-carbaldehyde
CID 84580776

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 2,4-dimethylfuran-3-carboxylate?
The IUPAC name of cyclopropyl 2,4-dimethylfuran-3-carboxylate (CID 126987964) is cyclopropyl 2,4-dimethylfuran-3-carboxylate.
What is the SMILES notation for cyclopropyl 2,4-dimethylfuran-3-carboxylate?
The canonical SMILES for cyclopropyl 2,4-dimethylfuran-3-carboxylate is Cc1coc(C)c1C(=O)OC1CC1.
What is the InChIKey of cyclopropyl 2,4-dimethylfuran-3-carboxylate?
The InChIKey is XCTJKTLYVOWPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-6-5-12-7(2)9(6)10(11)13-8-3-4-8/h5,8H,3-4H2,1-2H3.
What are the key properties of cyclopropyl 2,4-dimethylfuran-3-carboxylate?
cyclopropyl 2,4-dimethylfuran-3-carboxylate has a molecular weight of 180.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 2,4-dimethylfuran-3-carboxylate is sourced from PubChem (CID 126987964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).