cyclohexanol;furan-2-carbaldehyde

C11H16O3 — CID 163769843

IUPACcyclohexanol;furan-2-carbaldehyde
SMILESO=Cc1ccco1.OC1CCCCC1
InChIInChI=1S/C6H12O.C5H4O2/c7-6-4-2-1-3-5-6;6-4-5-2-1-3-7-5/h6-7H,1-5H2;1-4H
InChIKeyMFMCRNCZTWXAGG-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.40
Rot. Bonds1

About cyclohexanol;furan-2-carbaldehyde

cyclohexanol;furan-2-carbaldehyde (PubChem CID 163769843) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is cyclohexanol;furan-2-carbaldehyde.

Molecular Properties

Compound Namecyclohexanol;furan-2-carbaldehyde
PubChem CID163769843
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namecyclohexanol;furan-2-carbaldehyde
SMILESO=Cc1ccco1.OC1CCCCC1
InChIInChI=1S/C6H12O.C5H4O2/c7-6-4-2-1-3-5-6;6-4-5-2-1-3-7-5/h6-7H,1-5H2;1-4H
InChIKeyMFMCRNCZTWXAGG-UHFFFAOYSA-N
XLogP2.40
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.40
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

furan-2-carbaldehyde
CID 76972982
furan-2-carbaldehyde;nickel
CID 174724529
CID 175710332
CID 175710332
azane;furan-2-carbaldehyde
CID 19372392
cyclopenta-1,3-diene;cyclopentanol;cyclopentanone;cyclopentene;furan-2-carbaldehyde;molecular hydrogen;dihydrate
CID 158661556
furan-2-carbaldehyde;methoxymethane
CID 175302588
formaldehyde;furan-2-carbaldehyde;propan-2-one
CID 159909330
furan-2-carbaldehyde phosphate
CID 20507502
cyclohexyl(furan-2-ylmethylidene)azanium
CID 102227537
CID 171374623
CID 171374623
N,1-dimethylpiperidin-4-amine;furan-2-carbaldehyde
CID 142009439
furan-2-carbaldehyde;nitromethane
CID 23020378

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;furan-2-carbaldehyde?
The IUPAC name of cyclohexanol;furan-2-carbaldehyde (CID 163769843) is cyclohexanol;furan-2-carbaldehyde.
What is the SMILES notation for cyclohexanol;furan-2-carbaldehyde?
The canonical SMILES for cyclohexanol;furan-2-carbaldehyde is O=Cc1ccco1.OC1CCCCC1.
What is the InChIKey of cyclohexanol;furan-2-carbaldehyde?
The InChIKey is MFMCRNCZTWXAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C5H4O2/c7-6-4-2-1-3-5-6;6-4-5-2-1-3-7-5/h6-7H,1-5H2;1-4H.
What are the key properties of cyclohexanol;furan-2-carbaldehyde?
cyclohexanol;furan-2-carbaldehyde has a molecular weight of 196.25 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;furan-2-carbaldehyde is sourced from PubChem (CID 163769843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).