2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tricosa-10,12-diynoic acid

C31H56O7 — CID 87841478

IUPAC2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tricosa-10,12-diynoic acid
SMILESCCCCCCCCCCC#CC#CCCCCCCCCC(=O)O.OCCOCCOCCOCCO
InChIInChI=1S/C23H38O2.C8H18O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;9-1-3-11-5-7-13-8-6-12-4-2-10/h2-10,15-22H2,1H3,(H,24,25);9-10H,1-8H2
InChIKeyUTUJYVJOSCGWKB-UHFFFAOYSA-N
MW540.78 g/mol
LogP5.75
Rot. Bonds26

About 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tricosa-10,12-diynoic acid

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tricosa-10,12-diynoic acid (PubChem CID 87841478) has the molecular formula C31H56O7 and a molecular weight of 540.78 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tricosa-10,12-diynoic acid.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tricosa-10,12-diynoic acid
PubChem CID87841478
Molecular FormulaC31H56O7
Molecular Weight540.78 g/mol
Exact Mass540.40
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tricosa-10,12-diynoic acid
SMILESCCCCCCCCCCC#CC#CCCCCCCCCC(=O)O.OCCOCCOCCOCCO
InChIInChI=1S/C23H38O2.C8H18O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;9-1-3-11-5-7-13-8-6-12-4-2-10/h2-10,15-22H2,1H3,(H,24,25);9-10H,1-8H2
InChIKeyUTUJYVJOSCGWKB-UHFFFAOYSA-N
XLogP5.75
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.78
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

heptanoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87510106
nonadeca-10,12-diynoic acid
CID 89160943
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl tricosa-10,12-diynoate
CID 23374178
hexacosa-11,13-diynoic acid
CID 71349846
pentacosa-6,8-diynoic acid
CID 101012403
bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 87064442
hentriaconta-12,14-diynoic acid
CID 134916943
octadeca-8,10-diynoic acid
CID 5312666
heptadeca-6,8-diynoic acid
CID 86161368
acetylene;pentacosa-10,12-diynoic acid
CID 157131898
docosa-4,6-diynoic acid
CID 155657987
dodecanoic acid;2-(2-hydroxyethoxy)ethanol;sulfuric acid
CID 88843146

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tricosa-10,12-diynoic acid?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tricosa-10,12-diynoic acid (CID 87841478) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tricosa-10,12-diynoic acid.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tricosa-10,12-diynoic acid?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tricosa-10,12-diynoic acid is CCCCCCCCCCC#CC#CCCCCCCCCC(=O)O.OCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tricosa-10,12-diynoic acid?
The InChIKey is UTUJYVJOSCGWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O2.C8H18O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;9-1-3-11-5-7-13-8-6-12-4-2-10/h2-10,15-22H2,1H3,(H,24,25);9-10H,1-8H2.
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tricosa-10,12-diynoic acid?
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tricosa-10,12-diynoic acid has a molecular weight of 540.78 g/mol, XLogP of 5.75, 26 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tricosa-10,12-diynoic acid is sourced from PubChem (CID 87841478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).