2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane

C16H32O5 — CID 88931342

IUPAC2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane
SMILESCCC(C)COC(C)OCCCCOC(C)OCC1CO1
InChIInChI=1S/C16H32O5/c1-5-13(2)10-19-14(3)17-8-6-7-9-18-15(4)20-11-16-12-21-16/h13-16H,5-12H2,1-4H3
InChIKeyYEMGDHNBJHGTMU-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.97
Rot. Bonds14

About 2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane

2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane (PubChem CID 88931342) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane.

Molecular Properties

Compound Name2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane
PubChem CID88931342
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane
SMILESCCC(C)COC(C)OCCCCOC(C)OCC1CO1
InChIInChI=1S/C16H32O5/c1-5-13(2)10-19-14(3)17-8-6-7-9-18-15(4)20-11-16-12-21-16/h13-16H,5-12H2,1-4H3
InChIKeyYEMGDHNBJHGTMU-UHFFFAOYSA-N
XLogP2.97
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(1-butoxyethoxy)-2-methylbutane
CID 90476041
2-[3-(2-methylbutoxy)propoxymethyl]oxirane
CID 167130751
2-(9-methylundecoxymethyl)oxirane
CID 167130784
2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane
CID 101275344
1-(oxiran-2-ylmethoxy)ethanamine
CID 130292873
2-(1-iodoethoxymethyl)oxirane
CID 89194519
2-(propan-2-yloxymethyl)oxirane
CID 159998967
2-(5-methylheptoxymethyl)oxirane;propane-1,2,3-triol
CID 174940930
dimethoxy-[3-(oxiran-2-ylmethoxy)pentan-2-yl]silane
CID 173082214
2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
CID 101275367
(2S)-1-[bis[(2S)-2-methylbutoxy]methoxy]-2-methylbutane
CID 134895103
2-(1-bromoethoxymethyl)oxirane
CID 20568723

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane?
The IUPAC name of 2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane (CID 88931342) is 2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane.
What is the SMILES notation for 2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane?
The canonical SMILES for 2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane is CCC(C)COC(C)OCCCCOC(C)OCC1CO1.
What is the InChIKey of 2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane?
The InChIKey is YEMGDHNBJHGTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5/c1-5-13(2)10-19-14(3)17-8-6-7-9-18-15(4)20-11-16-12-21-16/h13-16H,5-12H2,1-4H3.
What are the key properties of 2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane?
2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane has a molecular weight of 304.43 g/mol, XLogP of 2.97, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane is sourced from PubChem (CID 88931342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).