2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde

C12H14O3 — CID 130690467

IUPAC2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde
SMILESO=CC1(Cc2ccco2)CC2CCC1O2
InChIInChI=1S/C12H14O3/c13-8-12(6-9-2-1-5-14-9)7-10-3-4-11(12)15-10/h1-2,5,8,10-11H,3-4,6-7H2
InChIKeyIEJASEVNXSSVEK-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.96
Rot. Bonds3

About 2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde

2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde (PubChem CID 130690467) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde
PubChem CID130690467
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde
SMILESO=CC1(Cc2ccco2)CC2CCC1O2
InChIInChI=1S/C12H14O3/c13-8-12(6-9-2-1-5-14-9)7-10-3-4-11(12)15-10/h1-2,5,8,10-11H,3-4,6-7H2
InChIKeyIEJASEVNXSSVEK-UHFFFAOYSA-N
XLogP1.96
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-ynyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde
CID 130721025
2-but-2-ynyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde
CID 130631979
3-ethyl-1-(furan-2-ylmethyl)cyclopentan-1-amine
CID 65422690
3-(furan-2-ylmethyl)oxolane-3-carbaldehyde
CID 130663249
2-(furan-2-ylmethyl)thiolane-2-carbaldehyde
CID 131026682
4-(furan-2-yl)butanal
CID 14455558
3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 112564732
2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid
CID 63086194
1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331
4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020416
acetaldehyde;2-(chloromethyl)furan
CID 174376101
2-cyclopropyl-3-(furan-2-yl)propanal
CID 83826737

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde?
The IUPAC name of 2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde (CID 130690467) is 2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde.
What is the SMILES notation for 2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde?
The canonical SMILES for 2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde is O=CC1(Cc2ccco2)CC2CCC1O2.
What is the InChIKey of 2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde?
The InChIKey is IEJASEVNXSSVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-8-12(6-9-2-1-5-14-9)7-10-3-4-11(12)15-10/h1-2,5,8,10-11H,3-4,6-7H2.
What are the key properties of 2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde?
2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde has a molecular weight of 206.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde is sourced from PubChem (CID 130690467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).