decanedioic acid;2-hydroxypropanoic acid;propane-1,2,3-triol

C16H32O10 — CID 160502483

IUPACdecanedioic acid;2-hydroxypropanoic acid;propane-1,2,3-triol
SMILESCC(O)C(=O)O.O=C(O)CCCCCCCCC(=O)O.OCC(O)CO
InChIInChI=1S/C10H18O4.C3H8O3.C3H6O3/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;4-1-3(6)2-5;1-2(4)3(5)6/h1-8H2,(H,11,12)(H,13,14);3-6H,1-2H2;2,4H,1H3,(H,5,6)
InChIKeyQRYSFSRTFZFMTG-UHFFFAOYSA-N
MW384.42 g/mol
LogP0.06
Rot. Bonds12

About decanedioic acid;2-hydroxypropanoic acid;propane-1,2,3-triol

decanedioic acid;2-hydroxypropanoic acid;propane-1,2,3-triol (PubChem CID 160502483) has the molecular formula C16H32O10 and a molecular weight of 384.42 g/mol. Its IUPAC name is decanedioic acid;2-hydroxypropanoic acid;propane-1,2,3-triol.

Molecular Properties

Compound Namedecanedioic acid;2-hydroxypropanoic acid;propane-1,2,3-triol
PubChem CID160502483
Molecular FormulaC16H32O10
Molecular Weight384.42 g/mol
Exact Mass384.20
IUPAC Namedecanedioic acid;2-hydroxypropanoic acid;propane-1,2,3-triol
SMILESCC(O)C(=O)O.O=C(O)CCCCCCCCC(=O)O.OCC(O)CO
InChIInChI=1S/C10H18O4.C3H8O3.C3H6O3/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;4-1-3(6)2-5;1-2(4)3(5)6/h1-8H2,(H,11,12)(H,13,14);3-6H,1-2H2;2,4H,1H3,(H,5,6)
InChIKeyQRYSFSRTFZFMTG-UHFFFAOYSA-N
XLogP0.06
TPSA192.82 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.42
LogP ≤ 50.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

decanedioic acid;hexakis(propane-1,2,3-triol)
CID 157296752
(Z)-docos-13-enoic acid;2-hydroxypropanoic acid;propane-1,2,3-triol
CID 175940096
docosanoic acid;hexakis(propane-1,2,3-triol)
CID 161031010
propane-1,2,3-triol;tetradecanoic acid
CID 19606662
decanedioic acid;hexadecanoic acid;bis(propane-1,2,3-triol)
CID 175774423
hexakis(propane-1,2,3-triol);tetrakis(tetradecanoic acid)
CID 161223190
nonakis(dodecanoic acid);heptakis(propane-1,2,3-triol)
CID 159219388
pentakis(octadecanoic acid);pentakis(propane-1,2,3-triol)
CID 161420599
dodecakis(octanoic acid);decakis(propane-1,2,3-triol)
CID 173131285
hexakis(dodecanoic acid);heptakis(propane-1,2,3-triol)
CID 160909633
tetrakis(decanoic acid);pentakis(propane-1,2,3-triol)
CID 159712204
tetrakis(dodecanoic acid);pentakis(propane-1,2,3-triol)
CID 162108815

Frequently Asked Questions

What is the IUPAC name of decanedioic acid;2-hydroxypropanoic acid;propane-1,2,3-triol?
The IUPAC name of decanedioic acid;2-hydroxypropanoic acid;propane-1,2,3-triol (CID 160502483) is decanedioic acid;2-hydroxypropanoic acid;propane-1,2,3-triol.
What is the SMILES notation for decanedioic acid;2-hydroxypropanoic acid;propane-1,2,3-triol?
The canonical SMILES for decanedioic acid;2-hydroxypropanoic acid;propane-1,2,3-triol is CC(O)C(=O)O.O=C(O)CCCCCCCCC(=O)O.OCC(O)CO.
What is the InChIKey of decanedioic acid;2-hydroxypropanoic acid;propane-1,2,3-triol?
The InChIKey is QRYSFSRTFZFMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C3H8O3.C3H6O3/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;4-1-3(6)2-5;1-2(4)3(5)6/h1-8H2,(H,11,12)(H,13,14);3-6H,1-2H2;2,4H,1H3,(H,5,6).
What are the key properties of decanedioic acid;2-hydroxypropanoic acid;propane-1,2,3-triol?
decanedioic acid;2-hydroxypropanoic acid;propane-1,2,3-triol has a molecular weight of 384.42 g/mol, XLogP of 0.06, 12 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioic acid;2-hydroxypropanoic acid;propane-1,2,3-triol is sourced from PubChem (CID 160502483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).