2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate

C15H30O6 — CID 168763268

IUPAC2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCOCCOCC(C)OCCCO
InChIInChI=1S/C15H30O6/c1-4-13(2)15(17)21-11-10-18-8-9-19-12-14(3)20-7-5-6-16/h13-14,16H,4-12H2,1-3H3
InChIKeyORTYWYVXPVZNEY-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.40
Rot. Bonds14

About 2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate

2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate (PubChem CID 168763268) has the molecular formula C15H30O6 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate.

Molecular Properties

Compound Name2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate
PubChem CID168763268
Molecular FormulaC15H30O6
Molecular Weight306.40 g/mol
Exact Mass306.20
IUPAC Name2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCOCCOCC(C)OCCCO
InChIInChI=1S/C15H30O6/c1-4-13(2)15(17)21-11-10-18-8-9-19-12-14(3)20-7-5-6-16/h13-14,16H,4-12H2,1-3H3
InChIKeyORTYWYVXPVZNEY-UHFFFAOYSA-N
XLogP1.40
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
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-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 58473820
2-[2-(2-ethylhexoxy)ethoxy]ethyl 2-methylbutanoate
CID 88869563
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate
CID 131967149
3-hydroxypropyl 2-methylbutanoate;octadecyl 2-methylbutanoate
CID 91132998
1-[2-(2-methylbutanoyloxy)ethoxy]propan-2-yl nonanoate
CID 59502576
3-[(2R)-butan-2-yl]oxypropan-1-ol
CID 5315839
2-[2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]butoxy]ethyl 2-methylbutanoate
CID 131979541
2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate
CID 170541221
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,3-dioxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 170008807
2-[2-[2-[2-[2-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595319
2-[2-[1-[1-(1-pentadecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol
CID 139596177

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate?
The IUPAC name of 2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate (CID 168763268) is 2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate.
What is the SMILES notation for 2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate?
The canonical SMILES for 2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate is CCC(C)C(=O)OCCOCCOCC(C)OCCCO.
What is the InChIKey of 2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate?
The InChIKey is ORTYWYVXPVZNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6/c1-4-13(2)15(17)21-11-10-18-8-9-19-12-14(3)20-7-5-6-16/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate?
2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate has a molecular weight of 306.40 g/mol, XLogP of 1.40, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-hydroxypropoxy)propoxy]ethoxy]ethyl 2-methylbutanoate is sourced from PubChem (CID 168763268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).