2-cyclohexyl-3-hydroxy-5-methyl-2H-furan-5-carbaldehyde

C12H18O3 — CID 174512238

IUPAC2-cyclohexyl-3-hydroxy-5-methyl-2H-furan-5-carbaldehyde
SMILESCC1(C=O)C=C(O)C(C2CCCCC2)O1
InChIInChI=1S/C12H18O3/c1-12(8-13)7-10(14)11(15-12)9-5-3-2-4-6-9/h7-9,11,14H,2-6H2,1H3
InChIKeyMPNSNRXFFFEDNQ-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.37
Rot. Bonds2

About 2-cyclohexyl-3-hydroxy-5-methyl-2H-furan-5-carbaldehyde

2-cyclohexyl-3-hydroxy-5-methyl-2H-furan-5-carbaldehyde (PubChem CID 174512238) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-cyclohexyl-3-hydroxy-5-methyl-2H-furan-5-carbaldehyde.

Molecular Properties

Compound Name2-cyclohexyl-3-hydroxy-5-methyl-2H-furan-5-carbaldehyde
PubChem CID174512238
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-cyclohexyl-3-hydroxy-5-methyl-2H-furan-5-carbaldehyde
SMILESCC1(C=O)C=C(O)C(C2CCCCC2)O1
InChIInChI=1S/C12H18O3/c1-12(8-13)7-10(14)11(15-12)9-5-3-2-4-6-9/h7-9,11,14H,2-6H2,1H3
InChIKeyMPNSNRXFFFEDNQ-UHFFFAOYSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-hydroxy-5-methyl-2H-furan-5-carbaldehyde?
The IUPAC name of 2-cyclohexyl-3-hydroxy-5-methyl-2H-furan-5-carbaldehyde (CID 174512238) is 2-cyclohexyl-3-hydroxy-5-methyl-2H-furan-5-carbaldehyde.
What is the SMILES notation for 2-cyclohexyl-3-hydroxy-5-methyl-2H-furan-5-carbaldehyde?
The canonical SMILES for 2-cyclohexyl-3-hydroxy-5-methyl-2H-furan-5-carbaldehyde is CC1(C=O)C=C(O)C(C2CCCCC2)O1.
What is the InChIKey of 2-cyclohexyl-3-hydroxy-5-methyl-2H-furan-5-carbaldehyde?
The InChIKey is MPNSNRXFFFEDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-12(8-13)7-10(14)11(15-12)9-5-3-2-4-6-9/h7-9,11,14H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-3-hydroxy-5-methyl-2H-furan-5-carbaldehyde?
2-cyclohexyl-3-hydroxy-5-methyl-2H-furan-5-carbaldehyde has a molecular weight of 210.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-hydroxy-5-methyl-2H-furan-5-carbaldehyde is sourced from PubChem (CID 174512238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).