4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid

C14H22O5 — CID 174852652

IUPAC4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid
SMILESCC(C)=CCC/C(C)=C\C(O)OC(=O)CCC(=O)O
InChIInChI=1S/C14H22O5/c1-10(2)5-4-6-11(3)9-14(18)19-13(17)8-7-12(15)16/h5,9,14,18H,4,6-8H2,1-3H3,(H,15,16)/b11-9-
InChIKeyKOIVNXLNUOYDJD-LUAWRHEFSA-N
MW270.33 g/mol
LogP2.41
Rot. Bonds8

About 4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid

4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid (PubChem CID 174852652) has the molecular formula C14H22O5 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid
PubChem CID174852652
Molecular FormulaC14H22O5
Molecular Weight270.33 g/mol
Exact Mass270.15
IUPAC Name4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid
SMILESCC(C)=CCC/C(C)=C\C(O)OC(=O)CCC(=O)O
InChIInChI=1S/C14H22O5/c1-10(2)5-4-6-11(3)9-14(18)19-13(17)8-7-12(15)16/h5,9,14,18H,4,6-8H2,1-3H3,(H,15,16)/b11-9-
InChIKeyKOIVNXLNUOYDJD-LUAWRHEFSA-N
XLogP2.41
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2E)-1-hydroxy-3,7-dimethylocta-2,6-dienyl] (3E)-4,8-dimethyl-2-oxonona-3,7-dienoate
CID 139899689
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
(4E,8E)-3-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
CID 19705901
(8E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 58369785
4,8-dimethylnona-3,7-dien-2-yl butanoate
CID 71367305
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
[(2E)-1-acetyloxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 15212203
bis[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl] pentanedioate
CID 87993813
(3,7-dimethyl-1-sulfanylocta-2,6-dienyl) acetate
CID 57137605
2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate
CID 91575554
3-[[3-[(6E)-2,6-dimethyldocosa-2,6-dien-8-yl]oxy-3-oxopropyl]disulfanyl]propanoic acid
CID 177068347
(4E)-2-acetyl-3-hydroxy-5,9-dimethyldeca-4,8-dienoic acid
CID 141005453

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid?
The IUPAC name of 4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid (CID 174852652) is 4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid?
The canonical SMILES for 4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid is CC(C)=CCC/C(C)=C\C(O)OC(=O)CCC(=O)O.
What is the InChIKey of 4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid?
The InChIKey is KOIVNXLNUOYDJD-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H22O5/c1-10(2)5-4-6-11(3)9-14(18)19-13(17)8-7-12(15)16/h5,9,14,18H,4,6-8H2,1-3H3,(H,15,16)/b11-9-.
What are the key properties of 4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid?
4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid has a molecular weight of 270.33 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid is sourced from PubChem (CID 174852652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).