4-[(Z,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-oxobutanoic acid

C14H24O6 — CID 170989531

IUPAC4-[(Z,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-oxobutanoic acid
SMILESC/C(=C/COC(=O)CCC(=O)O)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C14H24O6/c1-10(4-5-11(15)14(2,3)19)8-9-20-13(18)7-6-12(16)17/h8,11,15,19H,4-7,9H2,1-3H3,(H,16,17)/b10-8-/t11-/m1/s1
InChIKeyWIUWPMIDWDCWAB-HIJJYWJESA-N
MW288.34 g/mol
LogP1.25
Rot. Bonds9

About 4-[(Z,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-oxobutanoic acid

4-[(Z,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-oxobutanoic acid (PubChem CID 170989531) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-[(Z,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(Z,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-oxobutanoic acid
PubChem CID170989531
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name4-[(Z,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-oxobutanoic acid
SMILESC/C(=C/COC(=O)CCC(=O)O)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C14H24O6/c1-10(4-5-11(15)14(2,3)19)8-9-20-13(18)7-6-12(16)17/h8,11,15,19H,4-7,9H2,1-3H3,(H,16,17)/b10-8-/t11-/m1/s1
InChIKeyWIUWPMIDWDCWAB-HIJJYWJESA-N
XLogP1.25
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-[(Z,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-oxobutanoic acid?
The IUPAC name of 4-[(Z,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-oxobutanoic acid (CID 170989531) is 4-[(Z,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(Z,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-oxobutanoic acid?
The canonical SMILES for 4-[(Z,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-oxobutanoic acid is C/C(=C/COC(=O)CCC(=O)O)CC[C@@H](O)C(C)(C)O.
What is the InChIKey of 4-[(Z,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-oxobutanoic acid?
The InChIKey is WIUWPMIDWDCWAB-HIJJYWJESA-N. The full InChI is InChI=1S/C14H24O6/c1-10(4-5-11(15)14(2,3)19)8-9-20-13(18)7-6-12(16)17/h8,11,15,19H,4-7,9H2,1-3H3,(H,16,17)/b10-8-/t11-/m1/s1.
What are the key properties of 4-[(Z,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-oxobutanoic acid?
4-[(Z,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-oxobutanoic acid has a molecular weight of 288.34 g/mol, XLogP of 1.25, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-4-oxobutanoic acid is sourced from PubChem (CID 170989531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).