(E,3S,4S,7S,9R)-9-hydroxy-3,4,7-tris(methoxymethoxy)dec-5-enoic acid

C16H30O9 — CID 11474039

IUPAC(E,3S,4S,7S,9R)-9-hydroxy-3,4,7-tris(methoxymethoxy)dec-5-enoic acid
SMILESCOCO[C@H](/C=C/[C@H](OCOC)[C@H](CC(=O)O)OCOC)C[C@@H](C)O
InChIInChI=1S/C16H30O9/c1-12(17)7-13(23-9-20-2)5-6-14(24-10-21-3)15(8-16(18)19)25-11-22-4/h5-6,12-15,17H,7-11H2,1-4H3,(H,18,19)/b6-5+/t12-,13-,14+,15+/m1/s1
InChIKeyOFRJCYOUSSYEBM-FHSIOMNJSA-N
MW366.41 g/mol
LogP0.76
Rot. Bonds16

About (E,3S,4S,7S,9R)-9-hydroxy-3,4,7-tris(methoxymethoxy)dec-5-enoic acid

(E,3S,4S,7S,9R)-9-hydroxy-3,4,7-tris(methoxymethoxy)dec-5-enoic acid (PubChem CID 11474039) has the molecular formula C16H30O9 and a molecular weight of 366.41 g/mol. Its IUPAC name is (E,3S,4S,7S,9R)-9-hydroxy-3,4,7-tris(methoxymethoxy)dec-5-enoic acid.

Molecular Properties

Compound Name(E,3S,4S,7S,9R)-9-hydroxy-3,4,7-tris(methoxymethoxy)dec-5-enoic acid
PubChem CID11474039
Molecular FormulaC16H30O9
Molecular Weight366.41 g/mol
Exact Mass366.19
IUPAC Name(E,3S,4S,7S,9R)-9-hydroxy-3,4,7-tris(methoxymethoxy)dec-5-enoic acid
SMILESCOCO[C@H](/C=C/[C@H](OCOC)[C@H](CC(=O)O)OCOC)C[C@@H](C)O
InChIInChI=1S/C16H30O9/c1-12(17)7-13(23-9-20-2)5-6-14(24-10-21-3)15(8-16(18)19)25-11-22-4/h5-6,12-15,17H,7-11H2,1-4H3,(H,18,19)/b6-5+/t12-,13-,14+,15+/m1/s1
InChIKeyOFRJCYOUSSYEBM-FHSIOMNJSA-N
XLogP0.76
TPSA112.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (E,3S,4S,7S,9R)-9-hydroxy-3,4,7-tris(methoxymethoxy)dec-5-enoic 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

(3aS,7R,9S,10E,11aS)-9-(methoxymethoxy)-2,2,7-trimethyl-3a,4,7,8,9,11a-hexahydro-[1,3]dioxolo[4,5-d]oxecin-5-one
CID 10494450
2-[(4S,5S)-5-[(E,3S,5R)-5-hydroxy-3-(methoxymethoxy)hex-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 10495776
(E,3R,6S,9R)-9-hydroxy-3,6-bis(methoxymethoxy)dec-4-enoic acid
CID 11001267
(2R,4S,5E,7S,8S)-4,7,8-tris(methoxymethoxy)-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 11302480
2-[(2R,3S,6S)-6-ethoxy-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]acetic Acid
CID 10352807
Xnezxkrbaupsnj-mltvryqvsa-
CID 11438035
(5Z)-8-hydroxy-4,7-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 21752998
8-Hydroxy-4,7-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 54351001
(7,8-Diacetyloxy-2-methyl-10-oxo-2,3,4,7,8,9-hexahydrooxecin-4-yl) acetate
CID 57124641
[2-Methyl-10-oxo-7,8-di(propanoyloxy)-2,3,4,7,8,9-hexahydrooxecin-4-yl] propanoate
CID 57150004
(5E)-8-hydroxy-4,7-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 88500893
methyl 2-[(2R,3S)-3-acetyloxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]acetate
CID 90689868

Frequently Asked Questions

What is the IUPAC name of (E,3S,4S,7S,9R)-9-hydroxy-3,4,7-tris(methoxymethoxy)dec-5-enoic acid?
The IUPAC name of (E,3S,4S,7S,9R)-9-hydroxy-3,4,7-tris(methoxymethoxy)dec-5-enoic acid (CID 11474039) is (E,3S,4S,7S,9R)-9-hydroxy-3,4,7-tris(methoxymethoxy)dec-5-enoic acid.
What is the SMILES notation for (E,3S,4S,7S,9R)-9-hydroxy-3,4,7-tris(methoxymethoxy)dec-5-enoic acid?
The canonical SMILES for (E,3S,4S,7S,9R)-9-hydroxy-3,4,7-tris(methoxymethoxy)dec-5-enoic acid is COCO[C@H](/C=C/[C@H](OCOC)[C@H](CC(=O)O)OCOC)C[C@@H](C)O.
What is the InChIKey of (E,3S,4S,7S,9R)-9-hydroxy-3,4,7-tris(methoxymethoxy)dec-5-enoic acid?
The InChIKey is OFRJCYOUSSYEBM-FHSIOMNJSA-N. The full InChI is InChI=1S/C16H30O9/c1-12(17)7-13(23-9-20-2)5-6-14(24-10-21-3)15(8-16(18)19)25-11-22-4/h5-6,12-15,17H,7-11H2,1-4H3,(H,18,19)/b6-5+/t12-,13-,14+,15+/m1/s1.
What are the key properties of (E,3S,4S,7S,9R)-9-hydroxy-3,4,7-tris(methoxymethoxy)dec-5-enoic acid?
(E,3S,4S,7S,9R)-9-hydroxy-3,4,7-tris(methoxymethoxy)dec-5-enoic acid has a molecular weight of 366.41 g/mol, XLogP of 0.76, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,4S,7S,9R)-9-hydroxy-3,4,7-tris(methoxymethoxy)dec-5-enoic acid is sourced from PubChem (CID 11474039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).