2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

C30H60O11 — CID 139598041

IUPAC2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(O)CO
InChIInChI=1S/C30H60O11/c1-2-3-4-5-6-7-8-9-10-11-13-34-15-17-36-19-21-38-23-25-40-26-24-39-22-20-37-18-16-35-14-12-30(33)41-28-29(32)27-31/h29,31-32H,2-28H2,1H3
InChIKeyYLVXDKFTHWOAKW-UHFFFAOYSA-N
MW596.80 g/mol
LogP3.31
Rot. Bonds35

About 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 139598041) has the molecular formula C30H60O11 and a molecular weight of 596.80 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
PubChem CID139598041
Molecular FormulaC30H60O11
Molecular Weight596.80 g/mol
Exact Mass596.41
IUPAC Name2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(O)CO
InChIInChI=1S/C30H60O11/c1-2-3-4-5-6-7-8-9-10-11-13-34-15-17-36-19-21-38-23-25-40-26-24-39-22-20-37-18-16-35-14-12-30(33)41-28-29(32)27-31/h29,31-32H,2-28H2,1H3
InChIKeyYLVXDKFTHWOAKW-UHFFFAOYSA-N
XLogP3.31
TPSA131.37 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds35
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.80
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 139598232
2,3-dihydroxypropyl tetracosanoate
CID 14542801
2,3-dihydroxypropyl octadecanoate
CID 159321215
[(2S)-2,3-dihydroxypropyl] nonanoate
CID 70789772
2,3-dihydroxypropyl hexadecanoate;2,3-dihydroxypropyl octadecanoate
CID 24698
2,3-dihydroxypropyl octadecanoate;zinc
CID 87251976
[(2R)-2,3-dihydroxypropyl] octanoate;ethane
CID 71627387
2,3-dihydroxypropyl dodecanoate;ethanol
CID 158629488
2,3-dihydroxypropyl octadecanoate;polane
CID 173093514
2,3-dihydroxypropyl nonanoate;ethoxyethane
CID 87991117
2,3-dihydroxypropyl octanoate;ethane-1,2-diol
CID 175177364
2,3-dihydroxypropyl octadecanoate;ethane-1,2-diol
CID 87139616

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The IUPAC name of 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 139598041) is 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.
What is the SMILES notation for 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The canonical SMILES for 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCC(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The InChIKey is YLVXDKFTHWOAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60O11/c1-2-3-4-5-6-7-8-9-10-11-13-34-15-17-36-19-21-38-23-25-40-26-24-39-22-20-37-18-16-35-14-12-30(33)41-28-29(32)27-31/h29,31-32H,2-28H2,1H3.
What are the key properties of 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 596.80 g/mol, XLogP of 3.31, 35 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 3-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 139598041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).