2,3-dihydroxypropanoyl 2-(2,3-dihydroxypropanoyl)decanoate

C16H28O8 — CID 135377568

IUPAC2,3-dihydroxypropanoyl 2-(2,3-dihydroxypropanoyl)decanoate
SMILESCCCCCCCCC(C(=O)OC(=O)C(O)CO)C(=O)C(O)CO
InChIInChI=1S/C16H28O8/c1-2-3-4-5-6-7-8-11(14(21)12(19)9-17)15(22)24-16(23)13(20)10-18/h11-13,17-20H,2-10H2,1H3
InChIKeyVZPCPGFRDGHCPE-UHFFFAOYSA-N
MW348.39 g/mol
LogP-0.30
Rot. Bonds13

About 2,3-dihydroxypropanoyl 2-(2,3-dihydroxypropanoyl)decanoate

2,3-dihydroxypropanoyl 2-(2,3-dihydroxypropanoyl)decanoate (PubChem CID 135377568) has the molecular formula C16H28O8 and a molecular weight of 348.39 g/mol. Its IUPAC name is 2,3-dihydroxypropanoyl 2-(2,3-dihydroxypropanoyl)decanoate.

Molecular Properties

Compound Name2,3-dihydroxypropanoyl 2-(2,3-dihydroxypropanoyl)decanoate
PubChem CID135377568
Molecular FormulaC16H28O8
Molecular Weight348.39 g/mol
Exact Mass348.18
IUPAC Name2,3-dihydroxypropanoyl 2-(2,3-dihydroxypropanoyl)decanoate
SMILESCCCCCCCCC(C(=O)OC(=O)C(O)CO)C(=O)C(O)CO
InChIInChI=1S/C16H28O8/c1-2-3-4-5-6-7-8-11(14(21)12(19)9-17)15(22)24-16(23)13(20)10-18/h11-13,17-20H,2-10H2,1H3
InChIKeyVZPCPGFRDGHCPE-UHFFFAOYSA-N
XLogP-0.30
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxypropanoyl 2-(1-hydroxyethyl)octadecanoate
CID 141494010
(2S)-1,2,4-trihydroxynonadecan-3-one
CID 56628431
2,3-dihydroxypropanoyl 3-heptylundecanoate
CID 172558943
2,3-dihydroxypropanoyl icosanoate
CID 89407188
2,3-dihydroxypropanoyl octanoate
CID 21150881
(2-heptoxy-3-hydroxypropanoyl) 2,3-dihydroxypropanoate
CID 141128540
2,3-dihydroxypropanoyl 2,3-dihydroxy-2-(hydroxymethyl)octadecanoate
CID 139806240
2,3-dihydroxypropanoyl 2-hexyl-11-octanoyloxyundecanoate
CID 145194553
bis(2,3-dihydroxypropanoyl) 2-[(7Z,10Z)-hexadeca-7,10-dienyl]-3-[(Z)-hexadec-7-enyl]butanedioate
CID 141133574
2,3-dihydroxypropanoyl dodecanoate;ethane-1,2-diol
CID 87655884
tetradecyl 2,3-dihydroxypropanoate
CID 23624049
tridecyl 2,3-dihydroxypropanoate
CID 141488973

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropanoyl 2-(2,3-dihydroxypropanoyl)decanoate?
The IUPAC name of 2,3-dihydroxypropanoyl 2-(2,3-dihydroxypropanoyl)decanoate (CID 135377568) is 2,3-dihydroxypropanoyl 2-(2,3-dihydroxypropanoyl)decanoate.
What is the SMILES notation for 2,3-dihydroxypropanoyl 2-(2,3-dihydroxypropanoyl)decanoate?
The canonical SMILES for 2,3-dihydroxypropanoyl 2-(2,3-dihydroxypropanoyl)decanoate is CCCCCCCCC(C(=O)OC(=O)C(O)CO)C(=O)C(O)CO.
What is the InChIKey of 2,3-dihydroxypropanoyl 2-(2,3-dihydroxypropanoyl)decanoate?
The InChIKey is VZPCPGFRDGHCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O8/c1-2-3-4-5-6-7-8-11(14(21)12(19)9-17)15(22)24-16(23)13(20)10-18/h11-13,17-20H,2-10H2,1H3.
What are the key properties of 2,3-dihydroxypropanoyl 2-(2,3-dihydroxypropanoyl)decanoate?
2,3-dihydroxypropanoyl 2-(2,3-dihydroxypropanoyl)decanoate has a molecular weight of 348.39 g/mol, XLogP of -0.30, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropanoyl 2-(2,3-dihydroxypropanoyl)decanoate is sourced from PubChem (CID 135377568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).