2-(2-ethenyl-2-methyl-3H-furan-5-yl)propanal

C10H14O2 — CID 11240691

IUPAC2-(2-ethenyl-2-methyl-3H-furan-5-yl)propanal
SMILESC=CC1(C)CC=C(C(C)C=O)O1
InChIInChI=1S/C10H14O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4-5,7-8H,1,6H2,2-3H3
InChIKeyDYBWKLLXWSEOTI-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.07
Rot. Bonds3

About 2-(2-ethenyl-2-methyl-3H-furan-5-yl)propanal

2-(2-ethenyl-2-methyl-3H-furan-5-yl)propanal (PubChem CID 11240691) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(2-ethenyl-2-methyl-3H-furan-5-yl)propanal.

Molecular Properties

Compound Name2-(2-ethenyl-2-methyl-3H-furan-5-yl)propanal
PubChem CID11240691
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-(2-ethenyl-2-methyl-3H-furan-5-yl)propanal
SMILESC=CC1(C)CC=C(C(C)C=O)O1
InChIInChI=1S/C10H14O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4-5,7-8H,1,6H2,2-3H3
InChIKeyDYBWKLLXWSEOTI-UHFFFAOYSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenyl-2-methyl-3H-furan-5-yl)propanal?
The IUPAC name of 2-(2-ethenyl-2-methyl-3H-furan-5-yl)propanal (CID 11240691) is 2-(2-ethenyl-2-methyl-3H-furan-5-yl)propanal.
What is the SMILES notation for 2-(2-ethenyl-2-methyl-3H-furan-5-yl)propanal?
The canonical SMILES for 2-(2-ethenyl-2-methyl-3H-furan-5-yl)propanal is C=CC1(C)CC=C(C(C)C=O)O1.
What is the InChIKey of 2-(2-ethenyl-2-methyl-3H-furan-5-yl)propanal?
The InChIKey is DYBWKLLXWSEOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4-5,7-8H,1,6H2,2-3H3.
What are the key properties of 2-(2-ethenyl-2-methyl-3H-furan-5-yl)propanal?
2-(2-ethenyl-2-methyl-3H-furan-5-yl)propanal has a molecular weight of 166.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenyl-2-methyl-3H-furan-5-yl)propanal is sourced from PubChem (CID 11240691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).