5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carbaldehyde

C11H14O2 — CID 146324228

IUPAC5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carbaldehyde
SMILESCC(C)(C)/C=C/c1ccc(C=O)o1
InChIInChI=1S/C11H14O2/c1-11(2,3)7-6-9-4-5-10(8-12)13-9/h4-8H,1-3H3/b7-6+
InChIKeyWLZSQCPQLVEYBO-VOTSOKGWSA-N
MW178.23 g/mol
LogP3.15
Rot. Bonds2

About 5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carbaldehyde

5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carbaldehyde (PubChem CID 146324228) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carbaldehyde
PubChem CID146324228
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carbaldehyde
SMILESCC(C)(C)/C=C/c1ccc(C=O)o1
InChIInChI=1S/C11H14O2/c1-11(2,3)7-6-9-4-5-10(8-12)13-9/h4-8H,1-3H3/b7-6+
InChIKeyWLZSQCPQLVEYBO-VOTSOKGWSA-N
XLogP3.15
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde
CID 13162508
5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carboxylic acid
CID 87075699
5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde
CID 71371005
[5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol
CID 153317965
chloromethane;5-methylfuran-2-carbaldehyde
CID 144843774
(E)-3-(5-formylfuran-2-yl)prop-2-enenitrile
CID 131234572
5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde
CID 57074211
5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde
CID 170475985
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde
CID 11622449
5-(3-azidoprop-1-enyl)furan-2-carbaldehyde
CID 169461233
4-oxopyran-2,6-dicarbaldehyde
CID 12006526

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carbaldehyde (CID 146324228) is 5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carbaldehyde is CC(C)(C)/C=C/c1ccc(C=O)o1.
What is the InChIKey of 5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carbaldehyde?
The InChIKey is WLZSQCPQLVEYBO-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(2,3)7-6-9-4-5-10(8-12)13-9/h4-8H,1-3H3/b7-6+.
What are the key properties of 5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carbaldehyde?
5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carbaldehyde has a molecular weight of 178.23 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carbaldehyde is sourced from PubChem (CID 146324228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).