2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate

C11H24O6 — CID 87568507

IUPAC2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate
SMILESCCCOC(=O)CCCO.OCCOCCO
InChIInChI=1S/C7H14O3.C4H10O3/c1-2-6-10-7(9)4-3-5-8;5-1-3-7-4-2-6/h8H,2-6H2,1H3;5-6H,1-4H2
InChIKeyURKCPLXCBPGVGJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP-0.30
Rot. Bonds9

About 2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate

2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate (PubChem CID 87568507) has the molecular formula C11H24O6 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate
PubChem CID87568507
Molecular FormulaC11H24O6
Molecular Weight252.31 g/mol
Exact Mass252.16
IUPAC Name2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate
SMILESCCCOC(=O)CCCO.OCCOCCO
InChIInChI=1S/C7H14O3.C4H10O3/c1-2-6-10-7(9)4-3-5-8;5-1-3-7-4-2-6/h8H,2-6H2,1H3;5-6H,1-4H2
InChIKeyURKCPLXCBPGVGJ-UHFFFAOYSA-N
XLogP-0.30
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139594206
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139595493
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139595421
butyl octadecanoate;2-(2-hydroxyethoxy)ethanol
CID 23498291
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139596714
2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate
CID 176892143
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hexadecanoate
CID 139595451
4-O-(2-hydroxyethyl) 1-O-propyl butanedioate
CID 87981334
propyl butanoate;tridecane-1,13-diol
CID 175114899
propyl 3-hydroxypropanoate
CID 12778693
butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate
CID 88656845
ethane-1,2-diol;propyl octadecanoate
CID 87479973

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate (CID 87568507) is 2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate is CCCOC(=O)CCCO.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate?
The InChIKey is URKCPLXCBPGVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.C4H10O3/c1-2-6-10-7(9)4-3-5-8;5-1-3-7-4-2-6/h8H,2-6H2,1H3;5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate?
2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate has a molecular weight of 252.31 g/mol, XLogP of -0.30, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate is sourced from PubChem (CID 87568507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).