2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane

C14H26O3 — CID 174658525

IUPAC2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane
SMILESCCC(COCC(CC)CC1CO1)CC1CO1
InChIInChI=1S/C14H26O3/c1-3-11(5-13-9-16-13)7-15-8-12(4-2)6-14-10-17-14/h11-14H,3-10H2,1-2H3
InChIKeyAFZFQPNFTVDIPT-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.63
Rot. Bonds10

About 2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane

2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane (PubChem CID 174658525) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane.

Molecular Properties

Compound Name2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane
PubChem CID174658525
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane
SMILESCCC(COCC(CC)CC1CO1)CC1CO1
InChIInChI=1S/C14H26O3/c1-3-11(5-13-9-16-13)7-15-8-12(4-2)6-14-10-17-14/h11-14H,3-10H2,1-2H3
InChIKeyAFZFQPNFTVDIPT-UHFFFAOYSA-N
XLogP2.63
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(butoxymethyl)pentyl]oxirane
CID 91516262
(2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane
CID 36688279
2-(2-ethylhexadecyl)oxirane
CID 174869726
2-[2-(oxiran-2-ylmethyl)pentyl]oxirane;hydrate
CID 87791870
2-(2-methylbutyl)oxirane
CID 534610
2-(3-methoxy-2-methylpropyl)oxirane
CID 54363358
2-[4,5-diethyl-2-(oxiran-2-ylmethyl)hept-4-enyl]oxirane
CID 172834555
2-[(5-cyclobutyl-2-ethylpentoxy)methyl]oxirane
CID 126510361
2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane
CID 87215006
methoxy-[2-(oxiran-2-ylmethyl)pentyl]silane
CID 175050932
1-methyl-2-[(2R)-1-[(2S)-oxiran-2-yl]butan-2-yl]oxyhydrazine
CID 142189532
2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane
CID 175008248

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane?
The IUPAC name of 2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane (CID 174658525) is 2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane.
What is the SMILES notation for 2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane?
The canonical SMILES for 2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane is CCC(COCC(CC)CC1CO1)CC1CO1.
What is the InChIKey of 2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane?
The InChIKey is AFZFQPNFTVDIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-11(5-13-9-16-13)7-15-8-12(4-2)6-14-10-17-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane?
2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane has a molecular weight of 242.36 g/mol, XLogP of 2.63, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane is sourced from PubChem (CID 174658525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).