3,4-dihydroxy-3,5-dimethyl-6-[(E)-4-methylhex-4-en-2-yl]oxan-2-one

C14H24O4 — CID 154814085

IUPAC3,4-dihydroxy-3,5-dimethyl-6-[(E)-4-methylhex-4-en-2-yl]oxan-2-one
SMILESC/C=C(\C)CC(C)C1OC(=O)C(C)(O)C(O)C1C
InChIInChI=1S/C14H24O4/c1-6-8(2)7-9(3)11-10(4)12(15)14(5,17)13(16)18-11/h6,9-12,15,17H,7H2,1-5H3/b8-6+
InChIKeyUKWNFIJQRGRIDQ-SOFGYWHQSA-N
MW256.34 g/mol
LogP1.65
Rot. Bonds3

About 3,4-dihydroxy-3,5-dimethyl-6-[(E)-4-methylhex-4-en-2-yl]oxan-2-one

3,4-dihydroxy-3,5-dimethyl-6-[(E)-4-methylhex-4-en-2-yl]oxan-2-one (PubChem CID 154814085) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 3,4-dihydroxy-3,5-dimethyl-6-[(E)-4-methylhex-4-en-2-yl]oxan-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-3,5-dimethyl-6-[(E)-4-methylhex-4-en-2-yl]oxan-2-one
PubChem CID154814085
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name3,4-dihydroxy-3,5-dimethyl-6-[(E)-4-methylhex-4-en-2-yl]oxan-2-one
SMILESC/C=C(\C)CC(C)C1OC(=O)C(C)(O)C(O)C1C
InChIInChI=1S/C14H24O4/c1-6-8(2)7-9(3)11-10(4)12(15)14(5,17)13(16)18-11/h6,9-12,15,17H,7H2,1-5H3/b8-6+
InChIKeyUKWNFIJQRGRIDQ-SOFGYWHQSA-N
XLogP1.65
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-3,5-dimethyl-6-[(E)-4-methylhex-4-en-2-yl]oxan-2-one?
The IUPAC name of 3,4-dihydroxy-3,5-dimethyl-6-[(E)-4-methylhex-4-en-2-yl]oxan-2-one (CID 154814085) is 3,4-dihydroxy-3,5-dimethyl-6-[(E)-4-methylhex-4-en-2-yl]oxan-2-one.
What is the SMILES notation for 3,4-dihydroxy-3,5-dimethyl-6-[(E)-4-methylhex-4-en-2-yl]oxan-2-one?
The canonical SMILES for 3,4-dihydroxy-3,5-dimethyl-6-[(E)-4-methylhex-4-en-2-yl]oxan-2-one is C/C=C(\C)CC(C)C1OC(=O)C(C)(O)C(O)C1C.
What is the InChIKey of 3,4-dihydroxy-3,5-dimethyl-6-[(E)-4-methylhex-4-en-2-yl]oxan-2-one?
The InChIKey is UKWNFIJQRGRIDQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H24O4/c1-6-8(2)7-9(3)11-10(4)12(15)14(5,17)13(16)18-11/h6,9-12,15,17H,7H2,1-5H3/b8-6+.
What are the key properties of 3,4-dihydroxy-3,5-dimethyl-6-[(E)-4-methylhex-4-en-2-yl]oxan-2-one?
3,4-dihydroxy-3,5-dimethyl-6-[(E)-4-methylhex-4-en-2-yl]oxan-2-one has a molecular weight of 256.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-3,5-dimethyl-6-[(E)-4-methylhex-4-en-2-yl]oxan-2-one is sourced from PubChem (CID 154814085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).