(2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate

C13H24O7 — CID 141128540

IUPAC(2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate
SMILESCCCCCCCOC(CO)C(=O)OC(=O)C(O)CO
InChIInChI=1S/C13H24O7/c1-2-3-4-5-6-7-19-11(9-15)13(18)20-12(17)10(16)8-14/h10-11,14-16H,2-9H2,1H3
InChIKeyXOHZVNVFRQCRBO-UHFFFAOYSA-N
MW292.33 g/mol
LogP-0.24
Rot. Bonds11

About (2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate

(2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate (PubChem CID 141128540) has the molecular formula C13H24O7 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate.

Molecular Properties

Compound Name(2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate
PubChem CID141128540
Molecular FormulaC13H24O7
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name(2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate
SMILESCCCCCCCOC(CO)C(=O)OC(=O)C(O)CO
InChIInChI=1S/C13H24O7/c1-2-3-4-5-6-7-19-11(9-15)13(18)20-12(17)10(16)8-14/h10-11,14-16H,2-9H2,1H3
InChIKeyXOHZVNVFRQCRBO-UHFFFAOYSA-N
XLogP-0.24
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate 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

tetradecyl 2,3-dihydroxypropanoate
CID 23624049
tridecyl 2,3-dihydroxypropanoate
CID 141488973
2,3-dihydroxypropanoyl icosanoate
CID 89407188
2,3-dihydroxypropanoyl octanoate
CID 21150881
2,3-dihydroxypropanoyl 2-(2,3-dihydroxypropanoyl)decanoate
CID 135377568
2,3-dihydroxypropanoyl 2-(1-hydroxyethyl)octadecanoate
CID 141494010
2,3-dihydroxypropanoyl 2-hexyl-11-octanoyloxyundecanoate
CID 145194553
2,3-dihydroxypropanoyl dodecanoate;ethane-1,2-diol
CID 87655884
2,3-dihydroxypropanoyl 2,2-dihydroxyoctadecanoate
CID 87508128
1-hydroxy-2-pentoxyhex-5-en-3-one
CID 88840071
2,3-dihydroxypropanoyl dodecanoate;propane-1,2-diol
CID 87907800
[1-dodecoxy-2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxypropanoate
CID 141249706

Frequently Asked Questions

What is the IUPAC name of (2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate?
The IUPAC name of (2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate (CID 141128540) is (2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate.
What is the SMILES notation for (2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate?
The canonical SMILES for (2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate is CCCCCCCOC(CO)C(=O)OC(=O)C(O)CO.
What is the InChIKey of (2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate?
The InChIKey is XOHZVNVFRQCRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O7/c1-2-3-4-5-6-7-19-11(9-15)13(18)20-12(17)10(16)8-14/h10-11,14-16H,2-9H2,1H3.
What are the key properties of (2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate?
(2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate has a molecular weight of 292.33 g/mol, XLogP of -0.24, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate is sourced from PubChem (CID 141128540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).