(2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one

C9H14O3 — CID 11073844

IUPAC(2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one
SMILESCO[C@H]1C=CC(=O)[C@H](C(C)C)O1
InChIInChI=1S/C9H14O3/c1-6(2)9-7(10)4-5-8(11-3)12-9/h4-6,8-9H,1-3H3/t8-,9+/m1/s1
InChIKeyYFMMAOAKQVZOHZ-BDAKNGLRSA-N
MW170.21 g/mol
LogP1.14
Rot. Bonds2

About (2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one

(2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one (PubChem CID 11073844) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one.

Molecular Properties

Compound Name(2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one
PubChem CID11073844
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one
SMILESCO[C@H]1C=CC(=O)[C@H](C(C)C)O1
InChIInChI=1S/C9H14O3/c1-6(2)9-7(10)4-5-8(11-3)12-9/h4-6,8-9H,1-3H3/t8-,9+/m1/s1
InChIKeyYFMMAOAKQVZOHZ-BDAKNGLRSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2H-Pyran-3(6H)-one, 2-ethyl-6-methoxy-
CID 332602
2-[(2S,6R)-2-isopentyloxy-5-oxo-2H-pyran-6-yl]acetonitrile
CID 53304834
Methyl 2,3,6-trideoxy-alpha-glycero-hex-2-enopyranosid-4-ulose
CID 3082380
2-methyl-6-acetoxy-3-oxo-3,6-dihydro-2H-pyran
CID 13031642
(2R,6S)-2-methoxy-6-methyl-2H-pyran-5-one
CID 11073522
2H-Pyran-3(6H)-one, 6-(1,1-dimethylethoxy)-
CID 11137555
tert-butyl [(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate
CID 11665775
2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041217
(2S,6S)-6-Methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl acetate
CID 71413762
7,7-Dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 44324183
6-Methoxy-2-methyl-2H-pyran-3(6H)-one
CID 13011792
(2S,6R)-6-methoxy-2-methyl-2H-pyran-5-one
CID 10953614

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one?
The IUPAC name of (2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one (CID 11073844) is (2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one.
What is the SMILES notation for (2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one?
The canonical SMILES for (2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one is CO[C@H]1C=CC(=O)[C@H](C(C)C)O1.
What is the InChIKey of (2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one?
The InChIKey is YFMMAOAKQVZOHZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H14O3/c1-6(2)9-7(10)4-5-8(11-3)12-9/h4-6,8-9H,1-3H3/t8-,9+/m1/s1.
What are the key properties of (2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one?
(2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one has a molecular weight of 170.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one is sourced from PubChem (CID 11073844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).