4-methoxy-3-methyl-5-[(E)-4-methylhex-2-en-2-yl]pyran-2-one

C14H20O3 — CID 102036378

IUPAC4-methoxy-3-methyl-5-[(E)-4-methylhex-2-en-2-yl]pyran-2-one
SMILESCCC(C)/C=C(\C)c1coc(=O)c(C)c1OC
InChIInChI=1S/C14H20O3/c1-6-9(2)7-10(3)12-8-17-14(15)11(4)13(12)16-5/h7-9H,6H2,1-5H3/b10-7+
InChIKeyLOHLUXBRCWBUFO-JXMROGBWSA-N
MW236.31 g/mol
LogP3.41
Rot. Bonds4

About 4-methoxy-3-methyl-5-[(E)-4-methylhex-2-en-2-yl]pyran-2-one

4-methoxy-3-methyl-5-[(E)-4-methylhex-2-en-2-yl]pyran-2-one (PubChem CID 102036378) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-methoxy-3-methyl-5-[(E)-4-methylhex-2-en-2-yl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-3-methyl-5-[(E)-4-methylhex-2-en-2-yl]pyran-2-one
PubChem CID102036378
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-methoxy-3-methyl-5-[(E)-4-methylhex-2-en-2-yl]pyran-2-one
SMILESCCC(C)/C=C(\C)c1coc(=O)c(C)c1OC
InChIInChI=1S/C14H20O3/c1-6-9(2)7-10(3)12-8-17-14(15)11(4)13(12)16-5/h7-9H,6H2,1-5H3/b10-7+
InChIKeyLOHLUXBRCWBUFO-JXMROGBWSA-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-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one
CID 163072280
2-methoxy-3-methyl-6-[(E,4S)-4-methylhex-2-en-2-yl]pyran-4-one
CID 146682271
5-[(1S)-1-hydroxyethyl]-4-methoxy-3-methylpyran-2-one
CID 163093976
5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid
CID 75061205
(8S)-8,10-dihydroxy-7-methoxy-3-[(E,4S)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)benzo[g]isochromene-1,9-dione
CID 146682609
(5S)-7-(4-methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid
CID 163060152
ethyl (Z)-2-acetyl-4-methylhex-2-enoate
CID 25137440
4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)pyran-2-one
CID 162940800
(4R)-2,4-dimethylhex-2-ene
CID 142611901
11-(4-methoxy-5-methyl-6-oxopyran-2-yl)-9-methyldodeca-2,4,6,10-tetraenoic acid
CID 163110607
1-ethoxy-10-hydroxy-7-methoxy-3-(4-methylhex-2-en-2-yl)-1H-benzo[g]isochromene-8,9-dione
CID 85069859
4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one
CID 90662535

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-5-[(E)-4-methylhex-2-en-2-yl]pyran-2-one?
The IUPAC name of 4-methoxy-3-methyl-5-[(E)-4-methylhex-2-en-2-yl]pyran-2-one (CID 102036378) is 4-methoxy-3-methyl-5-[(E)-4-methylhex-2-en-2-yl]pyran-2-one.
What is the SMILES notation for 4-methoxy-3-methyl-5-[(E)-4-methylhex-2-en-2-yl]pyran-2-one?
The canonical SMILES for 4-methoxy-3-methyl-5-[(E)-4-methylhex-2-en-2-yl]pyran-2-one is CCC(C)/C=C(\C)c1coc(=O)c(C)c1OC.
What is the InChIKey of 4-methoxy-3-methyl-5-[(E)-4-methylhex-2-en-2-yl]pyran-2-one?
The InChIKey is LOHLUXBRCWBUFO-JXMROGBWSA-N. The full InChI is InChI=1S/C14H20O3/c1-6-9(2)7-10(3)12-8-17-14(15)11(4)13(12)16-5/h7-9H,6H2,1-5H3/b10-7+.
What are the key properties of 4-methoxy-3-methyl-5-[(E)-4-methylhex-2-en-2-yl]pyran-2-one?
4-methoxy-3-methyl-5-[(E)-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-5-[(E)-4-methylhex-2-en-2-yl]pyran-2-one is sourced from PubChem (CID 102036378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).