2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane

C21H42O4 — CID 86199119

IUPAC2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
SMILESCCCCCCCCCCCCCCOCCOCCOCC1CO1
InChIInChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-15-16-23-17-18-24-19-21-20-25-21/h21H,2-20H2,1H3
InChIKeyWQEBSSTZPJHALK-UHFFFAOYSA-N
MW358.56 g/mol
LogP5.14
Rot. Bonds21

About 2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane

2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane (PubChem CID 86199119) has the molecular formula C21H42O4 and a molecular weight of 358.56 g/mol. Its IUPAC name is 2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
PubChem CID86199119
Molecular FormulaC21H42O4
Molecular Weight358.56 g/mol
Exact Mass358.31
IUPAC Name2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
SMILESCCCCCCCCCCCCCCOCCOCCOCC1CO1
InChIInChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-15-16-23-17-18-24-19-21-20-25-21/h21H,2-20H2,1H3
InChIKeyWQEBSSTZPJHALK-UHFFFAOYSA-N
XLogP5.14
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.56
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(pentoxymethyl)oxirane
CID 160890113
CID 166063430
CID 166063430
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane?
The IUPAC name of 2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane (CID 86199119) is 2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane.
What is the SMILES notation for 2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane?
The canonical SMILES for 2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane is CCCCCCCCCCCCCCOCCOCCOCC1CO1.
What is the InChIKey of 2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane?
The InChIKey is WQEBSSTZPJHALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-15-16-23-17-18-24-19-21-20-25-21/h21H,2-20H2,1H3.
What are the key properties of 2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane?
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane has a molecular weight of 358.56 g/mol, XLogP of 5.14, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane is sourced from PubChem (CID 86199119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).