5-hydroxy-6-(2-hydroxy-5-methyl-4-oxohex-5-enoxy)-2-methylhex-1-en-3-one

C14H22O5 — CID 88597491

IUPAC5-hydroxy-6-(2-hydroxy-5-methyl-4-oxohex-5-enoxy)-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CC(O)COCC(O)CC(=O)C(=C)C
InChIInChI=1S/C14H22O5/c1-9(2)13(17)5-11(15)7-19-8-12(16)6-14(18)10(3)4/h11-12,15-16H,1,3,5-8H2,2,4H3
InChIKeyFCYWEVIFZZAQAM-UHFFFAOYSA-N
MW270.32 g/mol
LogP0.80
Rot. Bonds10

About 5-hydroxy-6-(2-hydroxy-5-methyl-4-oxohex-5-enoxy)-2-methylhex-1-en-3-one

5-hydroxy-6-(2-hydroxy-5-methyl-4-oxohex-5-enoxy)-2-methylhex-1-en-3-one (PubChem CID 88597491) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 5-hydroxy-6-(2-hydroxy-5-methyl-4-oxohex-5-enoxy)-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name5-hydroxy-6-(2-hydroxy-5-methyl-4-oxohex-5-enoxy)-2-methylhex-1-en-3-one
PubChem CID88597491
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name5-hydroxy-6-(2-hydroxy-5-methyl-4-oxohex-5-enoxy)-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CC(O)COCC(O)CC(=O)C(=C)C
InChIInChI=1S/C14H22O5/c1-9(2)13(17)5-11(15)7-19-8-12(16)6-14(18)10(3)4/h11-12,15-16H,1,3,5-8H2,2,4H3
InChIKeyFCYWEVIFZZAQAM-UHFFFAOYSA-N
XLogP0.80
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-(2-hydroxy-5-methyl-4-oxohex-5-enoxy)-2-methylhex-1-en-3-one?
The IUPAC name of 5-hydroxy-6-(2-hydroxy-5-methyl-4-oxohex-5-enoxy)-2-methylhex-1-en-3-one (CID 88597491) is 5-hydroxy-6-(2-hydroxy-5-methyl-4-oxohex-5-enoxy)-2-methylhex-1-en-3-one.
What is the SMILES notation for 5-hydroxy-6-(2-hydroxy-5-methyl-4-oxohex-5-enoxy)-2-methylhex-1-en-3-one?
The canonical SMILES for 5-hydroxy-6-(2-hydroxy-5-methyl-4-oxohex-5-enoxy)-2-methylhex-1-en-3-one is C=C(C)C(=O)CC(O)COCC(O)CC(=O)C(=C)C.
What is the InChIKey of 5-hydroxy-6-(2-hydroxy-5-methyl-4-oxohex-5-enoxy)-2-methylhex-1-en-3-one?
The InChIKey is FCYWEVIFZZAQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-9(2)13(17)5-11(15)7-19-8-12(16)6-14(18)10(3)4/h11-12,15-16H,1,3,5-8H2,2,4H3.
What are the key properties of 5-hydroxy-6-(2-hydroxy-5-methyl-4-oxohex-5-enoxy)-2-methylhex-1-en-3-one?
5-hydroxy-6-(2-hydroxy-5-methyl-4-oxohex-5-enoxy)-2-methylhex-1-en-3-one has a molecular weight of 270.32 g/mol, XLogP of 0.80, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-(2-hydroxy-5-methyl-4-oxohex-5-enoxy)-2-methylhex-1-en-3-one is sourced from PubChem (CID 88597491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).