methyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate

C12H14O5 — CID 175475252

IUPACmethyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(C2(C)OCCO2)o1
InChIInChI=1S/C12H14O5/c1-12(15-7-8-16-12)10-5-3-9(17-10)4-6-11(13)14-2/h3-6H,7-8H2,1-2H3
InChIKeySJXDRQIMIYNETJ-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.69
Rot. Bonds3

About methyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate

methyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate (PubChem CID 175475252) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate
PubChem CID175475252
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Namemethyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(C2(C)OCCO2)o1
InChIInChI=1S/C12H14O5/c1-12(15-7-8-16-12)10-5-3-9(17-10)4-6-11(13)14-2/h3-6H,7-8H2,1-2H3
InChIKeySJXDRQIMIYNETJ-UHFFFAOYSA-N
XLogP1.69
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate with MolForge

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Related Compounds

methyl 3-(5-ethylfuran-2-yl)prop-2-enoate
CID 54231207
methyl 3-(5-bromofuran-2-yl)prop-2-enoate
CID 66591461
methyl 3-[5-(propan-2-ylcarbamoyl)furan-2-yl]prop-2-enoate
CID 175475304
methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate
CID 69037771
methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate
CID 75608706
methyl (E)-3-[5-[(Z)-1-hydroxyhept-4-en-2-ynyl]furan-2-yl]prop-2-enoate
CID 165341412
methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate
CID 71445900
2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]-2-sulfanylacetamide
CID 87280459
methyl 3-(1-benzofuran-2-yl)prop-2-enoate
CID 1479261
methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate
CID 123594241
methyl (E)-3-(3-oxo-1,2-oxazol-5-yl)prop-2-enoate
CID 13395791
methyl (E)-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)prop-2-enoate
CID 44584092

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate?
The IUPAC name of methyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate (CID 175475252) is methyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate.
What is the SMILES notation for methyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate?
The canonical SMILES for methyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate is COC(=O)C=Cc1ccc(C2(C)OCCO2)o1.
What is the InChIKey of methyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate?
The InChIKey is SJXDRQIMIYNETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-12(15-7-8-16-12)10-5-3-9(17-10)4-6-11(13)14-2/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate?
methyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate has a molecular weight of 238.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-enoate is sourced from PubChem (CID 175475252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).