2-[(E)-hex-1-enyl]furan-3-carbaldehyde

C11H14O2 — CID 135057022

IUPAC2-[(E)-hex-1-enyl]furan-3-carbaldehyde
SMILESCCCC/C=C/c1occc1C=O
InChIInChI=1S/C11H14O2/c1-2-3-4-5-6-11-10(9-12)7-8-13-11/h5-9H,2-4H2,1H3/b6-5+
InChIKeyRKPFJVVJWJNXHV-AATRIKPKSA-N
MW178.23 g/mol
LogP3.30
Rot. Bonds5

About 2-[(E)-hex-1-enyl]furan-3-carbaldehyde

2-[(E)-hex-1-enyl]furan-3-carbaldehyde (PubChem CID 135057022) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[(E)-hex-1-enyl]furan-3-carbaldehyde.

Molecular Properties

Compound Name2-[(E)-hex-1-enyl]furan-3-carbaldehyde
PubChem CID135057022
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-[(E)-hex-1-enyl]furan-3-carbaldehyde
SMILESCCCC/C=C/c1occc1C=O
InChIInChI=1S/C11H14O2/c1-2-3-4-5-6-11-10(9-12)7-8-13-11/h5-9H,2-4H2,1H3/b6-5+
InChIKeyRKPFJVVJWJNXHV-AATRIKPKSA-N
XLogP3.30
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethenyl)furan-3-carbaldehyde
CID 137205870
2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde
CID 24851106
2-[(E)-hex-1-enyl]cycloprop-2-en-1-one
CID 10329344
2-tridec-1-enylfuran
CID 76580057
5-hex-1-enyl-1-benzofuran
CID 57039277
3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde
CID 169454559
3-ethylfuran-2-carbaldehyde;hydrate
CID 87415934
3-dodecylfuran-2-carbaldehyde
CID 54442257
2,5-bis(undec-1-enyl)furan
CID 90706742
2-triethylgermylfuran-3-carbaldehyde
CID 15686475
3-methyl-2-oxopyran-4-carbaldehyde
CID 11275038
2-triethylsilylfuran-3-carbaldehyde
CID 15744577

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-1-enyl]furan-3-carbaldehyde?
The IUPAC name of 2-[(E)-hex-1-enyl]furan-3-carbaldehyde (CID 135057022) is 2-[(E)-hex-1-enyl]furan-3-carbaldehyde.
What is the SMILES notation for 2-[(E)-hex-1-enyl]furan-3-carbaldehyde?
The canonical SMILES for 2-[(E)-hex-1-enyl]furan-3-carbaldehyde is CCCC/C=C/c1occc1C=O.
What is the InChIKey of 2-[(E)-hex-1-enyl]furan-3-carbaldehyde?
The InChIKey is RKPFJVVJWJNXHV-AATRIKPKSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-3-4-5-6-11-10(9-12)7-8-13-11/h5-9H,2-4H2,1H3/b6-5+.
What are the key properties of 2-[(E)-hex-1-enyl]furan-3-carbaldehyde?
2-[(E)-hex-1-enyl]furan-3-carbaldehyde has a molecular weight of 178.23 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-1-enyl]furan-3-carbaldehyde is sourced from PubChem (CID 135057022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).