(2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one

C10H16O3 — CID 14667618

IUPAC(2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one
SMILESCCCCO[C@H]1CC(=O)C=C(C)O1
InChIInChI=1S/C10H16O3/c1-3-4-5-12-10-7-9(11)6-8(2)13-10/h6,10H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyHAMQNLOAGKAYQE-SNVBAGLBSA-N
MW184.24 g/mol
LogP2.02
Rot. Bonds4

About (2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one

(2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one (PubChem CID 14667618) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one
PubChem CID14667618
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one
SMILESCCCCO[C@H]1CC(=O)C=C(C)O1
InChIInChI=1S/C10H16O3/c1-3-4-5-12-10-7-9(11)6-8(2)13-10/h6,10H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyHAMQNLOAGKAYQE-SNVBAGLBSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-methyl-2-tridecyl-2,3-dihydropyran-4-one
CID 163108678
(4R)-4-nonoxyoxetan-2-one
CID 175477617
(2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran
CID 10442781
2-butoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran
CID 86227518
2-(2-hydroxytridecyl)-6-methyl-2,3-dihydropyran-4-one
CID 162818844
2-butoxy-2,3-dihydrobenzo[g][1]benzofuran
CID 71816977
3,5-dimethylcyclohex-2-en-1-one;ethane;pentane
CID 144844935
6-pentoxyoxan-2-one
CID 70139952
2-butoxy-2H-pyran-5-one
CID 21397289
2-butoxy-4-methylideneoxolane
CID 86160912
2-pentoxy-6-propyl-2,3-dihydro-1-benzofuran-5-ol
CID 139705011
6-butyl-2-hexyl-2,3-dihydropyran-4-one
CID 86057082

Frequently Asked Questions

What is the IUPAC name of (2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one?
The IUPAC name of (2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one (CID 14667618) is (2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one is CCCCO[C@H]1CC(=O)C=C(C)O1.
What is the InChIKey of (2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one?
The InChIKey is HAMQNLOAGKAYQE-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-4-5-12-10-7-9(11)6-8(2)13-10/h6,10H,3-5,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one?
(2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one has a molecular weight of 184.24 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 14667618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).