2-methylpropyl (E)-3-(furan-2-yl)prop-2-enoate

C11H14O3 — CID 5371129

IUPAC2-methylpropyl (E)-3-(furan-2-yl)prop-2-enoate
SMILESCC(C)COC(=O)/C=C/c1ccco1
InChIInChI=1S/C11H14O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-7,9H,8H2,1-2H3/b6-5+
InChIKeyMXXZZSWRRDGWLK-AATRIKPKSA-N
MW194.23 g/mol
LogP2.49
Rot. Bonds4

About 2-methylpropyl (E)-3-(furan-2-yl)prop-2-enoate

2-methylpropyl (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 5371129) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-methylpropyl (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name2-methylpropyl (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID5371129
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-methylpropyl (E)-3-(furan-2-yl)prop-2-enoate
SMILESCC(C)COC(=O)/C=C/c1ccco1
InChIInChI=1S/C11H14O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-7,9H,8H2,1-2H3/b6-5+
InChIKeyMXXZZSWRRDGWLK-AATRIKPKSA-N
XLogP2.49
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of 2-methylpropyl (E)-3-(furan-2-yl)prop-2-enoate (CID 5371129) is 2-methylpropyl (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for 2-methylpropyl (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for 2-methylpropyl (E)-3-(furan-2-yl)prop-2-enoate is CC(C)COC(=O)/C=C/c1ccco1.
What is the InChIKey of 2-methylpropyl (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is MXXZZSWRRDGWLK-AATRIKPKSA-N. The full InChI is InChI=1S/C11H14O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-7,9H,8H2,1-2H3/b6-5+.
What are the key properties of 2-methylpropyl (E)-3-(furan-2-yl)prop-2-enoate?
2-methylpropyl (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 194.23 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 5371129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).