6-methoxy-6-methyl-2-propan-2-ylpyran-3-one

C10H16O3 — CID 139839705

IUPAC6-methoxy-6-methyl-2-propan-2-ylpyran-3-one
SMILESCOC1(C)C=CC(=O)C(C(C)C)O1
InChIInChI=1S/C10H16O3/c1-7(2)9-8(11)5-6-10(3,12-4)13-9/h5-7,9H,1-4H3
InChIKeyHGMQKRXGNFOBHL-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.53
Rot. Bonds2

About 6-methoxy-6-methyl-2-propan-2-ylpyran-3-one

6-methoxy-6-methyl-2-propan-2-ylpyran-3-one (PubChem CID 139839705) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 6-methoxy-6-methyl-2-propan-2-ylpyran-3-one.

Molecular Properties

Compound Name6-methoxy-6-methyl-2-propan-2-ylpyran-3-one
PubChem CID139839705
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name6-methoxy-6-methyl-2-propan-2-ylpyran-3-one
SMILESCOC1(C)C=CC(=O)C(C(C)C)O1
InChIInChI=1S/C10H16O3/c1-7(2)9-8(11)5-6-10(3,12-4)13-9/h5-7,9H,1-4H3
InChIKeyHGMQKRXGNFOBHL-UHFFFAOYSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.53
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-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041217
2-Propan-2-yl-1,7-dioxaspiro[5.5]undec-4-en-3-one
CID 15599468
6-Hydroxy-6-methyl-2-propan-2-ylpyran-3-one
CID 11194577
(2R,6S)-6-hydroxy-2-propan-2-yl-6-prop-2-enylpyran-3-one
CID 11975691
(6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041218
(2S)-2-[(2S)-but-3-en-2-yl]-6-hydroxy-6-methylpyran-3-one
CID 45139862
(2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one
CID 45139863
1-Ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one
CID 134843795
6-Hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one
CID 164676822
(5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one
CID 102310942
6-Ethoxy-2-(propan-2-yl)-2H-pyran-3(6H)-one
CID 13041085

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-methyl-2-propan-2-ylpyran-3-one?
The IUPAC name of 6-methoxy-6-methyl-2-propan-2-ylpyran-3-one (CID 139839705) is 6-methoxy-6-methyl-2-propan-2-ylpyran-3-one.
What is the SMILES notation for 6-methoxy-6-methyl-2-propan-2-ylpyran-3-one?
The canonical SMILES for 6-methoxy-6-methyl-2-propan-2-ylpyran-3-one is COC1(C)C=CC(=O)C(C(C)C)O1.
What is the InChIKey of 6-methoxy-6-methyl-2-propan-2-ylpyran-3-one?
The InChIKey is HGMQKRXGNFOBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(2)9-8(11)5-6-10(3,12-4)13-9/h5-7,9H,1-4H3.
What are the key properties of 6-methoxy-6-methyl-2-propan-2-ylpyran-3-one?
6-methoxy-6-methyl-2-propan-2-ylpyran-3-one has a molecular weight of 184.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methyl-2-propan-2-ylpyran-3-one is sourced from PubChem (CID 139839705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).