3-[1-(furan-2-yl)ethyl]cyclohexane-1-carbaldehyde

C13H18O2 — CID 151767410

IUPAC3-[1-(furan-2-yl)ethyl]cyclohexane-1-carbaldehyde
SMILESCC(c1ccco1)C1CCCC(C=O)C1
InChIInChI=1S/C13H18O2/c1-10(13-6-3-7-15-13)12-5-2-4-11(8-12)9-14/h3,6-7,9-12H,2,4-5,8H2,1H3
InChIKeyRRWJDYOGMOTBPE-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.39
Rot. Bonds3

About 3-[1-(furan-2-yl)ethyl]cyclohexane-1-carbaldehyde

3-[1-(furan-2-yl)ethyl]cyclohexane-1-carbaldehyde (PubChem CID 151767410) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)ethyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name3-[1-(furan-2-yl)ethyl]cyclohexane-1-carbaldehyde
PubChem CID151767410
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name3-[1-(furan-2-yl)ethyl]cyclohexane-1-carbaldehyde
SMILESCC(c1ccco1)C1CCCC(C=O)C1
InChIInChI=1S/C13H18O2/c1-10(13-6-3-7-15-13)12-5-2-4-11(8-12)9-14/h3,6-7,9-12H,2,4-5,8H2,1H3
InChIKeyRRWJDYOGMOTBPE-UHFFFAOYSA-N
XLogP3.39
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.39
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

3-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carbaldehyde
CID 88986054
cyclobutyl(furan-2-yl)methanamine;hydrochloride
CID 86263195
(2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 70545181
cyclohexane-1,3-dicarbaldehyde
CID 23496622
N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine
CID 81399415
2-(3-formylpiperidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 62656030
tert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate
CID 129460914
2-(furan-2-yl)-3-methylbutanal
CID 579273
2-cyclopropyl-1-(furan-2-yl)-2-methoxyethanamine
CID 116721918
2-(cyclopentylamino)-N-[1-(furan-2-yl)ethyl]acetamide
CID 60686918
(2R)-2-[[(1R)-1-(furan-2-yl)ethoxy]methyl]piperidine
CID 97162402
N-[1-(furan-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015111

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)ethyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 3-[1-(furan-2-yl)ethyl]cyclohexane-1-carbaldehyde (CID 151767410) is 3-[1-(furan-2-yl)ethyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 3-[1-(furan-2-yl)ethyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 3-[1-(furan-2-yl)ethyl]cyclohexane-1-carbaldehyde is CC(c1ccco1)C1CCCC(C=O)C1.
What is the InChIKey of 3-[1-(furan-2-yl)ethyl]cyclohexane-1-carbaldehyde?
The InChIKey is RRWJDYOGMOTBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(13-6-3-7-15-13)12-5-2-4-11(8-12)9-14/h3,6-7,9-12H,2,4-5,8H2,1H3.
What are the key properties of 3-[1-(furan-2-yl)ethyl]cyclohexane-1-carbaldehyde?
3-[1-(furan-2-yl)ethyl]cyclohexane-1-carbaldehyde has a molecular weight of 206.29 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)ethyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 151767410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).