2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate

C38H74O6 — CID 166706766

IUPAC2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate
SMILESCCCC(O)CCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCC(O)CCC
InChIInChI=1S/C38H74O6/c1-3-27-35(39)29-23-19-15-11-7-5-9-13-17-21-25-31-37(41)43-33-34-44-38(42)32-26-22-18-14-10-6-8-12-16-20-24-30-36(40)28-4-2/h35-36,39-40H,3-34H2,1-2H3
InChIKeyHOGVRGNITNLVFX-UHFFFAOYSA-N
MW627.00 g/mol
LogP10.54
Rot. Bonds35

About 2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate

2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate (PubChem CID 166706766) has the molecular formula C38H74O6 and a molecular weight of 627.00 g/mol. Its IUPAC name is 2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate.

Molecular Properties

Compound Name2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate
PubChem CID166706766
Molecular FormulaC38H74O6
Molecular Weight627.00 g/mol
Exact Mass626.55
IUPAC Name2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate
SMILESCCCC(O)CCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCC(O)CCC
InChIInChI=1S/C38H74O6/c1-3-27-35(39)29-23-19-15-11-7-5-9-13-17-21-25-31-37(41)43-33-34-44-38(42)32-26-22-18-14-10-6-8-12-16-20-24-30-36(40)28-4-2/h35-36,39-40H,3-34H2,1-2H3
InChIKeyHOGVRGNITNLVFX-UHFFFAOYSA-N
XLogP10.54
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds35
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.00
LogP ≤ 510.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(10-hydroxyoctadecanoyloxy)hexyl 10-hydroxyoctadecanoate
CID 87579324
[(12R)-12-hydroxyoctadecyl] docosanoate
CID 98048529
dotriacontyl 12-hydroxyoctadecanoate
CID 139650763
octahexacontyl 12-hydroxyoctadecanoate
CID 177467118
12-hydroxyoctadecyl octadecanoate
CID 87534486
octadecyl 13-hydroxyoctadecanoate
CID 139650754
3-hydroxyheptyl octanoate
CID 54307243
6-(12-hydroxyoctadecanoyloxy)hexyl 12-methyloctadecanoate
CID 118488271
ethyl 9-hydroxyhexadecanoate
CID 129223650
ethyl hexanoate;icosan-9-ol
CID 170307384
[(2R)-2-hydroxytriacontyl] (12S)-12-hydroxyoctadecanoate
CID 99712599
(18-oxo-18-propoxyoctadecan-7-yl) 12-hydroxyoctadecanoate;propyl 12-hydroxyoctadecanoate
CID 158185605

Frequently Asked Questions

What is the IUPAC name of 2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate?
The IUPAC name of 2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate (CID 166706766) is 2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate.
What is the SMILES notation for 2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate?
The canonical SMILES for 2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate is CCCC(O)CCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCC(O)CCC.
What is the InChIKey of 2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate?
The InChIKey is HOGVRGNITNLVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H74O6/c1-3-27-35(39)29-23-19-15-11-7-5-9-13-17-21-25-31-37(41)43-33-34-44-38(42)32-26-22-18-14-10-6-8-12-16-20-24-30-36(40)28-4-2/h35-36,39-40H,3-34H2,1-2H3.
What are the key properties of 2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate?
2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate has a molecular weight of 627.00 g/mol, XLogP of 10.54, 35 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate is sourced from PubChem (CID 166706766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).