(2R)-5,5-dimethyl-2-propyl-2H-furan

C9H16O — CID 102295155

IUPAC(2R)-5,5-dimethyl-2-propyl-2H-furan
SMILESCCC[C@@H]1C=CC(C)(C)O1
InChIInChI=1S/C9H16O/c1-4-5-8-6-7-9(2,3)10-8/h6-8H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyRFJSCTMEFQRRHW-MRVPVSSYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds2

About (2R)-5,5-dimethyl-2-propyl-2H-furan

(2R)-5,5-dimethyl-2-propyl-2H-furan (PubChem CID 102295155) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2R)-5,5-dimethyl-2-propyl-2H-furan.

Molecular Properties

Compound Name(2R)-5,5-dimethyl-2-propyl-2H-furan
PubChem CID102295155
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2R)-5,5-dimethyl-2-propyl-2H-furan
SMILESCCC[C@@H]1C=CC(C)(C)O1
InChIInChI=1S/C9H16O/c1-4-5-8-6-7-9(2,3)10-8/h6-8H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyRFJSCTMEFQRRHW-MRVPVSSYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
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 (2R)-5,5-dimethyl-2-propyl-2H-furan?
The IUPAC name of (2R)-5,5-dimethyl-2-propyl-2H-furan (CID 102295155) is (2R)-5,5-dimethyl-2-propyl-2H-furan.
What is the SMILES notation for (2R)-5,5-dimethyl-2-propyl-2H-furan?
The canonical SMILES for (2R)-5,5-dimethyl-2-propyl-2H-furan is CCC[C@@H]1C=CC(C)(C)O1.
What is the InChIKey of (2R)-5,5-dimethyl-2-propyl-2H-furan?
The InChIKey is RFJSCTMEFQRRHW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-5-8-6-7-9(2,3)10-8/h6-8H,4-5H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-5,5-dimethyl-2-propyl-2H-furan?
(2R)-5,5-dimethyl-2-propyl-2H-furan has a molecular weight of 140.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,5-dimethyl-2-propyl-2H-furan is sourced from PubChem (CID 102295155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).