2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde

C10H14O3 — CID 24851106

IUPAC2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde
SMILESCCCC[C@@H](O)c1occc1C=O
InChIInChI=1S/C10H14O3/c1-2-3-4-9(12)10-8(7-11)5-6-13-10/h5-7,9,12H,2-4H2,1H3/t9-/m1/s1
InChIKeyOZYFQNUWGVCGKU-SECBINFHSA-N
MW182.22 g/mol
LogP2.32
Rot. Bonds5

About 2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde

2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde (PubChem CID 24851106) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde.

Molecular Properties

Compound Name2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde
PubChem CID24851106
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde
SMILESCCCC[C@@H](O)c1occc1C=O
InChIInChI=1S/C10H14O3/c1-2-3-4-9(12)10-8(7-11)5-6-13-10/h5-7,9,12H,2-4H2,1H3/t9-/m1/s1
InChIKeyOZYFQNUWGVCGKU-SECBINFHSA-N
XLogP2.32
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylfuran-2-yl)nonan-1-ol
CID 104800699
2-(difluoromethyl)furan-3-carbaldehyde
CID 99986050
2-[(E)-hex-1-enyl]furan-3-carbaldehyde
CID 135057022
2-(3-methylfuran-2-yl)hexan-1-ol
CID 140985525
1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol
CID 106886301
2-[[3-butoxy-5-[(1S)-1-[ethyl(methyl)amino]prop-2-enyl]-1,2-oxazol-4-yl]-hydroxymethyl]furan-3-carbaldehyde
CID 126603282
4-(1-hydroxyhexyl)benzaldehyde
CID 22246899
2-triethylgermylfuran-3-carbaldehyde
CID 15686475
3-methyl-2-oxopyran-4-carbaldehyde
CID 11275038
2-triethylsilylfuran-3-carbaldehyde
CID 15744577
1-(5-ethylfuran-2-yl)pentan-1-ol
CID 65149618
1-(3-methylfuran-2-yl)tridecylhydrazine
CID 105269333

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde?
The IUPAC name of 2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde (CID 24851106) is 2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde.
What is the SMILES notation for 2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde?
The canonical SMILES for 2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde is CCCC[C@@H](O)c1occc1C=O.
What is the InChIKey of 2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde?
The InChIKey is OZYFQNUWGVCGKU-SECBINFHSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-3-4-9(12)10-8(7-11)5-6-13-10/h5-7,9,12H,2-4H2,1H3/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde?
2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde has a molecular weight of 182.22 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde is sourced from PubChem (CID 24851106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).