4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one

C14H20O3 — CID 163072280

IUPAC4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one
SMILESCC[C@@H](C)/C=C(\C)c1cc(OC)c(C)c(=O)o1
InChIInChI=1S/C14H20O3/c1-6-9(2)7-10(3)12-8-13(16-5)11(4)14(15)17-12/h7-9H,6H2,1-5H3/b10-7+/t9-/m1/s1
InChIKeyLTIPOSPLWJFHFJ-YIXGCBLDSA-N
MW236.31 g/mol
LogP3.41
Rot. Bonds4

About 4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one

4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one (PubChem CID 163072280) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one
PubChem CID163072280
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one
SMILESCC[C@@H](C)/C=C(\C)c1cc(OC)c(C)c(=O)o1
InChIInChI=1S/C14H20O3/c1-6-9(2)7-10(3)12-8-13(16-5)11(4)14(15)17-12/h7-9H,6H2,1-5H3/b10-7+/t9-/m1/s1
InChIKeyLTIPOSPLWJFHFJ-YIXGCBLDSA-N
XLogP3.41
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one
CID 162940800
5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid
CID 75061205
(5S)-7-(4-methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid
CID 163060152
11-(4-methoxy-5-methyl-6-oxopyran-2-yl)-9-methyldodeca-2,4,6,10-tetraenoic acid
CID 163110607
2-methoxy-3-methyl-6-[(E,4S)-4-methylhex-2-en-2-yl]pyran-4-one
CID 146682271
6-[(E)-4-hydroxybut-2-en-2-yl]-4-methoxy-3-methylpyran-2-one
CID 135563708
6-[(Z)-1-(2,3-dimethyloxiran-2-yl)prop-1-en-2-yl]-4-methoxy-3-methylpyran-2-one
CID 102217554
6-[1-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-1-en-2-yl]-4-methoxy-3-methylpyran-2-one
CID 162959204
6-[(Z)-1-[(2S,3S)-2,3-dimethyloxiran-2-yl]prop-1-en-2-yl]-4-methoxy-3-methylpyran-2-one
CID 162959203
4-methoxy-3-methyl-5-[(E)-4-methylhex-2-en-2-yl]pyran-2-one
CID 102036378
(E,3S)-5-(4-methoxy-6-oxopyran-2-yl)-3-methylhex-4-enoic acid
CID 100623149
5-(4-methoxy-6-oxopyran-2-yl)-3-methylhex-4-enoic acid
CID 156603053

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one?
The IUPAC name of 4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one (CID 163072280) is 4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one.
What is the SMILES notation for 4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one?
The canonical SMILES for 4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one is CC[C@@H](C)/C=C(\C)c1cc(OC)c(C)c(=O)o1.
What is the InChIKey of 4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one?
The InChIKey is LTIPOSPLWJFHFJ-YIXGCBLDSA-N. The full InChI is InChI=1S/C14H20O3/c1-6-9(2)7-10(3)12-8-13(16-5)11(4)14(15)17-12/h7-9H,6H2,1-5H3/b10-7+/t9-/m1/s1.
What are the key properties of 4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one?
4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one has a molecular weight of 236.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one is sourced from PubChem (CID 163072280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).