(4R)-4-hexyl-3,4-dihydropyran-2-one

C11H18O2 — CID 102448096

IUPAC(4R)-4-hexyl-3,4-dihydropyran-2-one
SMILESCCCCCC[C@H]1C=COC(=O)C1
InChIInChI=1S/C11H18O2/c1-2-3-4-5-6-10-7-8-13-11(12)9-10/h7-8,10H,2-6,9H2,1H3/t10-/m0/s1
InChIKeyJUVXNXNNJADHPN-JTQLQIEISA-N
MW182.26 g/mol
LogP3.03
Rot. Bonds5

About (4R)-4-hexyl-3,4-dihydropyran-2-one

(4R)-4-hexyl-3,4-dihydropyran-2-one (PubChem CID 102448096) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (4R)-4-hexyl-3,4-dihydropyran-2-one.

Molecular Properties

Compound Name(4R)-4-hexyl-3,4-dihydropyran-2-one
PubChem CID102448096
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(4R)-4-hexyl-3,4-dihydropyran-2-one
SMILESCCCCCC[C@H]1C=COC(=O)C1
InChIInChI=1S/C11H18O2/c1-2-3-4-5-6-10-7-8-13-11(12)9-10/h7-8,10H,2-6,9H2,1H3/t10-/m0/s1
InChIKeyJUVXNXNNJADHPN-JTQLQIEISA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4R)-4-hexyl-3,4-dihydropyran-2-one?
The IUPAC name of (4R)-4-hexyl-3,4-dihydropyran-2-one (CID 102448096) is (4R)-4-hexyl-3,4-dihydropyran-2-one.
What is the SMILES notation for (4R)-4-hexyl-3,4-dihydropyran-2-one?
The canonical SMILES for (4R)-4-hexyl-3,4-dihydropyran-2-one is CCCCCC[C@H]1C=COC(=O)C1.
What is the InChIKey of (4R)-4-hexyl-3,4-dihydropyran-2-one?
The InChIKey is JUVXNXNNJADHPN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-4-5-6-10-7-8-13-11(12)9-10/h7-8,10H,2-6,9H2,1H3/t10-/m0/s1.
What are the key properties of (4R)-4-hexyl-3,4-dihydropyran-2-one?
(4R)-4-hexyl-3,4-dihydropyran-2-one has a molecular weight of 182.26 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hexyl-3,4-dihydropyran-2-one is sourced from PubChem (CID 102448096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).