3-butyl-2-cyclohexylfuran

C14H22O — CID 15937327

IUPAC3-butyl-2-cyclohexylfuran
SMILESCCCCc1ccoc1C1CCCCC1
InChIInChI=1S/C14H22O/c1-2-3-7-13-10-11-15-14(13)12-8-5-4-6-9-12/h10-12H,2-9H2,1H3
InChIKeyIFNGJNZPNVKMRX-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.67
Rot. Bonds4

About 3-butyl-2-cyclohexylfuran

3-butyl-2-cyclohexylfuran (PubChem CID 15937327) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-butyl-2-cyclohexylfuran.

Molecular Properties

Compound Name3-butyl-2-cyclohexylfuran
PubChem CID15937327
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3-butyl-2-cyclohexylfuran
SMILESCCCCc1ccoc1C1CCCCC1
InChIInChI=1S/C14H22O/c1-2-3-7-13-10-11-15-14(13)12-8-5-4-6-9-12/h10-12H,2-9H2,1H3
InChIKeyIFNGJNZPNVKMRX-UHFFFAOYSA-N
XLogP4.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-cyclohexylfuran?
The IUPAC name of 3-butyl-2-cyclohexylfuran (CID 15937327) is 3-butyl-2-cyclohexylfuran.
What is the SMILES notation for 3-butyl-2-cyclohexylfuran?
The canonical SMILES for 3-butyl-2-cyclohexylfuran is CCCCc1ccoc1C1CCCCC1.
What is the InChIKey of 3-butyl-2-cyclohexylfuran?
The InChIKey is IFNGJNZPNVKMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-2-3-7-13-10-11-15-14(13)12-8-5-4-6-9-12/h10-12H,2-9H2,1H3.
What are the key properties of 3-butyl-2-cyclohexylfuran?
3-butyl-2-cyclohexylfuran has a molecular weight of 206.33 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-cyclohexylfuran is sourced from PubChem (CID 15937327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).