5-cyclohexyl-3-methylfuran-2-carbaldehyde

C12H16O2 — CID 19430344

IUPAC5-cyclohexyl-3-methylfuran-2-carbaldehyde
SMILESCc1cc(C2CCCCC2)oc1C=O
InChIInChI=1S/C12H16O2/c1-9-7-11(14-12(9)8-13)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyRCBNAXCSFYIMGT-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.45
Rot. Bonds2

About 5-cyclohexyl-3-methylfuran-2-carbaldehyde

5-cyclohexyl-3-methylfuran-2-carbaldehyde (PubChem CID 19430344) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-cyclohexyl-3-methylfuran-2-carbaldehyde.

Molecular Properties

Compound Name5-cyclohexyl-3-methylfuran-2-carbaldehyde
PubChem CID19430344
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name5-cyclohexyl-3-methylfuran-2-carbaldehyde
SMILESCc1cc(C2CCCCC2)oc1C=O
InChIInChI=1S/C12H16O2/c1-9-7-11(14-12(9)8-13)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyRCBNAXCSFYIMGT-UHFFFAOYSA-N
XLogP3.45
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-methylfuran-2-carbaldehyde?
The IUPAC name of 5-cyclohexyl-3-methylfuran-2-carbaldehyde (CID 19430344) is 5-cyclohexyl-3-methylfuran-2-carbaldehyde.
What is the SMILES notation for 5-cyclohexyl-3-methylfuran-2-carbaldehyde?
The canonical SMILES for 5-cyclohexyl-3-methylfuran-2-carbaldehyde is Cc1cc(C2CCCCC2)oc1C=O.
What is the InChIKey of 5-cyclohexyl-3-methylfuran-2-carbaldehyde?
The InChIKey is RCBNAXCSFYIMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9-7-11(14-12(9)8-13)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 5-cyclohexyl-3-methylfuran-2-carbaldehyde?
5-cyclohexyl-3-methylfuran-2-carbaldehyde has a molecular weight of 192.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-methylfuran-2-carbaldehyde is sourced from PubChem (CID 19430344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).