2-octyl-3H-furan-2-carbaldehyde

C13H22O2 — CID 150631817

IUPAC2-octyl-3H-furan-2-carbaldehyde
SMILESCCCCCCCCC1(C=O)CC=CO1
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-9-13(12-14)10-8-11-15-13/h8,11-12H,2-7,9-10H2,1H3
InChIKeyIYAYJCDFKIZOQU-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.61
Rot. Bonds8

About 2-octyl-3H-furan-2-carbaldehyde

2-octyl-3H-furan-2-carbaldehyde (PubChem CID 150631817) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-octyl-3H-furan-2-carbaldehyde.

Molecular Properties

Compound Name2-octyl-3H-furan-2-carbaldehyde
PubChem CID150631817
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-octyl-3H-furan-2-carbaldehyde
SMILESCCCCCCCCC1(C=O)CC=CO1
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-9-13(12-14)10-8-11-15-13/h8,11-12H,2-7,9-10H2,1H3
InChIKeyIYAYJCDFKIZOQU-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.61
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

2,5-Diethyl-3,4-dihydro-2H-pyran-2-carbaldehyde
CID 97954
2-methyl-4-(2-methylpropyl)-3H-furan-2-carbaldehyde
CID 163192480
3,4-Dihydro-2,5-dipropyl-2H-pyran-2-carbaldehyde
CID 118101
2,5-Dineopentyl-3,4-dihydro-2H-pyran-2-carbaldehyde
CID 241038
1-Oxaspiro(4.11)hexadec-2-en-4-one
CID 12686215
2,5-Bis(prop-2-enyl)-3,4-dihydropyran-2-carbaldehyde
CID 19809797
2,5-dipentyl-3,4-dihydro-2H-pyran-2-carbaldehyde
CID 21694368
2,5-Dibutyl-3,4-dihydropyran-2-carbaldehyde
CID 22572104
2,2-Dipentylfuran-3-one
CID 68827812
2,5-diethyl-3,4-dihydropyran-2-carbaldehyde;3,4-dihydro-2H-pyran
CID 88666939
2,5-Dioctyl-3,4-dihydropyran-2-carbaldehyde
CID 88667746
1-(2-dodecyl-3H-furan-2-yl)dodecan-1-one
CID 129105154

Frequently Asked Questions

What is the IUPAC name of 2-octyl-3H-furan-2-carbaldehyde?
The IUPAC name of 2-octyl-3H-furan-2-carbaldehyde (CID 150631817) is 2-octyl-3H-furan-2-carbaldehyde.
What is the SMILES notation for 2-octyl-3H-furan-2-carbaldehyde?
The canonical SMILES for 2-octyl-3H-furan-2-carbaldehyde is CCCCCCCCC1(C=O)CC=CO1.
What is the InChIKey of 2-octyl-3H-furan-2-carbaldehyde?
The InChIKey is IYAYJCDFKIZOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-4-5-6-7-9-13(12-14)10-8-11-15-13/h8,11-12H,2-7,9-10H2,1H3.
What are the key properties of 2-octyl-3H-furan-2-carbaldehyde?
2-octyl-3H-furan-2-carbaldehyde has a molecular weight of 210.32 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-3H-furan-2-carbaldehyde is sourced from PubChem (CID 150631817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).