6-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-4-hydroxypyran-2-one

C15H22O3 — CID 146682369

IUPAC6-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-4-hydroxypyran-2-one
SMILESCC[C@H](C)C[C@H](C)/C=C(\C)c1cc(O)cc(=O)o1
InChIInChI=1S/C15H22O3/c1-5-10(2)6-11(3)7-12(4)14-8-13(16)9-15(17)18-14/h7-11,16H,5-6H2,1-4H3/b12-7+/t10-,11-/m0/s1
InChIKeyIAXYDLVHUKXYDP-WKRXVSLGSA-N
MW250.34 g/mol
LogP3.82
Rot. Bonds5

About 6-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-4-hydroxypyran-2-one

6-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-4-hydroxypyran-2-one (PubChem CID 146682369) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 6-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-4-hydroxypyran-2-one.

Molecular Properties

Compound Name6-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-4-hydroxypyran-2-one
PubChem CID146682369
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name6-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-4-hydroxypyran-2-one
SMILESCC[C@H](C)C[C@H](C)/C=C(\C)c1cc(O)cc(=O)o1
InChIInChI=1S/C15H22O3/c1-5-10(2)6-11(3)7-12(4)14-8-13(16)9-15(17)18-14/h7-11,16H,5-6H2,1-4H3/b12-7+/t10-,11-/m0/s1
InChIKeyIAXYDLVHUKXYDP-WKRXVSLGSA-N
XLogP3.82
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-4-hydroxypyran-2-one?
The IUPAC name of 6-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-4-hydroxypyran-2-one (CID 146682369) is 6-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-4-hydroxypyran-2-one.
What is the SMILES notation for 6-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-4-hydroxypyran-2-one?
The canonical SMILES for 6-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-4-hydroxypyran-2-one is CC[C@H](C)C[C@H](C)/C=C(\C)c1cc(O)cc(=O)o1.
What is the InChIKey of 6-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-4-hydroxypyran-2-one?
The InChIKey is IAXYDLVHUKXYDP-WKRXVSLGSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-10(2)6-11(3)7-12(4)14-8-13(16)9-15(17)18-14/h7-11,16H,5-6H2,1-4H3/b12-7+/t10-,11-/m0/s1.
What are the key properties of 6-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-4-hydroxypyran-2-one?
6-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-4-hydroxypyran-2-one has a molecular weight of 250.34 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-4-hydroxypyran-2-one is sourced from PubChem (CID 146682369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).