2-cyclohexyl-3,4-dimethyl-2,5-dihydrofuran

C12H20O — CID 20816774

IUPAC2-cyclohexyl-3,4-dimethyl-2,5-dihydrofuran
SMILESCC1=C(C)C(C2CCCCC2)OC1
InChIInChI=1S/C12H20O/c1-9-8-13-12(10(9)2)11-6-4-3-5-7-11/h11-12H,3-8H2,1-2H3
InChIKeyXETXZKBHEFDIDI-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.30
Rot. Bonds1

About 2-cyclohexyl-3,4-dimethyl-2,5-dihydrofuran

2-cyclohexyl-3,4-dimethyl-2,5-dihydrofuran (PubChem CID 20816774) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-cyclohexyl-3,4-dimethyl-2,5-dihydrofuran.

Molecular Properties

Compound Name2-cyclohexyl-3,4-dimethyl-2,5-dihydrofuran
PubChem CID20816774
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-cyclohexyl-3,4-dimethyl-2,5-dihydrofuran
SMILESCC1=C(C)C(C2CCCCC2)OC1
InChIInChI=1S/C12H20O/c1-9-8-13-12(10(9)2)11-6-4-3-5-7-11/h11-12H,3-8H2,1-2H3
InChIKeyXETXZKBHEFDIDI-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3,4-dimethyl-2,5-dihydrofuran?
The IUPAC name of 2-cyclohexyl-3,4-dimethyl-2,5-dihydrofuran (CID 20816774) is 2-cyclohexyl-3,4-dimethyl-2,5-dihydrofuran.
What is the SMILES notation for 2-cyclohexyl-3,4-dimethyl-2,5-dihydrofuran?
The canonical SMILES for 2-cyclohexyl-3,4-dimethyl-2,5-dihydrofuran is CC1=C(C)C(C2CCCCC2)OC1.
What is the InChIKey of 2-cyclohexyl-3,4-dimethyl-2,5-dihydrofuran?
The InChIKey is XETXZKBHEFDIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-9-8-13-12(10(9)2)11-6-4-3-5-7-11/h11-12H,3-8H2,1-2H3.
What are the key properties of 2-cyclohexyl-3,4-dimethyl-2,5-dihydrofuran?
2-cyclohexyl-3,4-dimethyl-2,5-dihydrofuran has a molecular weight of 180.29 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3,4-dimethyl-2,5-dihydrofuran is sourced from PubChem (CID 20816774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).