3-cyclohexyl-2-dodecylfuran

C22H38O — CID 134907217

IUPAC3-cyclohexyl-2-dodecylfuran
SMILESCCCCCCCCCCCCc1occc1C1CCCCC1
InChIInChI=1S/C22H38O/c1-2-3-4-5-6-7-8-9-10-14-17-22-21(18-19-23-22)20-15-12-11-13-16-20/h18-20H,2-17H2,1H3
InChIKeySBRYERFEPSMIIN-UHFFFAOYSA-N
MW318.55 g/mol
LogP7.79
Rot. Bonds12

About 3-cyclohexyl-2-dodecylfuran

3-cyclohexyl-2-dodecylfuran (PubChem CID 134907217) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is 3-cyclohexyl-2-dodecylfuran.

Molecular Properties

Compound Name3-cyclohexyl-2-dodecylfuran
PubChem CID134907217
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name3-cyclohexyl-2-dodecylfuran
SMILESCCCCCCCCCCCCc1occc1C1CCCCC1
InChIInChI=1S/C22H38O/c1-2-3-4-5-6-7-8-9-10-14-17-22-21(18-19-23-22)20-15-12-11-13-16-20/h18-20H,2-17H2,1H3
InChIKeySBRYERFEPSMIIN-UHFFFAOYSA-N
XLogP7.79
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-dodecylfuran?
The IUPAC name of 3-cyclohexyl-2-dodecylfuran (CID 134907217) is 3-cyclohexyl-2-dodecylfuran.
What is the SMILES notation for 3-cyclohexyl-2-dodecylfuran?
The canonical SMILES for 3-cyclohexyl-2-dodecylfuran is CCCCCCCCCCCCc1occc1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-dodecylfuran?
The InChIKey is SBRYERFEPSMIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-2-3-4-5-6-7-8-9-10-14-17-22-21(18-19-23-22)20-15-12-11-13-16-20/h18-20H,2-17H2,1H3.
What are the key properties of 3-cyclohexyl-2-dodecylfuran?
3-cyclohexyl-2-dodecylfuran has a molecular weight of 318.55 g/mol, XLogP of 7.79, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-dodecylfuran is sourced from PubChem (CID 134907217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).