methyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate

C10H14O3 — CID 10535428

IUPACmethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(C)C1CC(C(=O)OC)=C(C)O1
InChIInChI=1S/C10H14O3/c1-6(2)9-5-8(7(3)13-9)10(11)12-4/h9H,1,5H2,2-4H3
InChIKeyJFTIRVAXOJXXJL-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.80
Rot. Bonds2

About methyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate

methyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate (PubChem CID 10535428) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is methyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
PubChem CID10535428
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namemethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(C)C1CC(C(=O)OC)=C(C)O1
InChIInChI=1S/C10H14O3/c1-6(2)9-5-8(7(3)13-9)10(11)12-4/h9H,1,5H2,2-4H3
InChIKeyJFTIRVAXOJXXJL-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester
CID 86111
3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
3-butyl-2(5H)-furanone
CID 11768654
(2S,3Z,7S)-3,7-dimethyl-2-[(3-methyl-5-oxo-2H-furan-4-yl)methyl]-2,5,6,7-tetrahydrooxocin-8-one
CID 145954038
(2R)-4-butyl-2-methyl-2H-furan-5-one
CID 13548531
3-methyl-2-(3-oxobutyl)-2H-furan-5-one
CID 86168064
Phomanone C
CID 146683520
Ethyl cyclopent-1-enecarboxylate
CID 275610
3-butyl-5-methyl-2(5H)-furanone
CID 13548530
3-Furancarboxylicacid,4,5-dihydro-2-methyl-5-methylene-,methylester(9CI)
CID 10034819
(2S)-4-butyl-2-methyl-2H-furan-5-one
CID 11105576
3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-methylene-, ethyl ester
CID 11116447

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate (CID 10535428) is methyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate is C=C(C)C1CC(C(=O)OC)=C(C)O1.
What is the InChIKey of methyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is JFTIRVAXOJXXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-6(2)9-5-8(7(3)13-9)10(11)12-4/h9H,1,5H2,2-4H3.
What are the key properties of methyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
methyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 10535428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).