2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane

C20H30O4 — CID 174820293

IUPAC2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane
SMILESCCC(Cc1ccc(CC(CC)OCC2CO2)cc1)OCC1CO1
InChIInChI=1S/C20H30O4/c1-3-17(21-11-19-13-23-19)9-15-5-7-16(8-6-15)10-18(4-2)22-12-20-14-24-20/h5-8,17-20H,3-4,9-14H2,1-2H3
InChIKeyQPICYRWLNSIAFC-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.16
Rot. Bonds12

About 2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane

2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane (PubChem CID 174820293) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane.

Molecular Properties

Compound Name2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane
PubChem CID174820293
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane
SMILESCCC(Cc1ccc(CC(CC)OCC2CO2)cc1)OCC1CO1
InChIInChI=1S/C20H30O4/c1-3-17(21-11-19-13-23-19)9-15-5-7-16(8-6-15)10-18(4-2)22-12-20-14-24-20/h5-8,17-20H,3-4,9-14H2,1-2H3
InChIKeyQPICYRWLNSIAFC-UHFFFAOYSA-N
XLogP3.16
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chlorobutan-2-yloxymethyl)oxirane
CID 58763744
2-[1-(4-propan-2-ylphenoxy)butan-2-yloxymethyl]oxirane
CID 156746922
2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane
CID 173281552
4-(oxiran-2-ylmethoxy)hexylsilane
CID 174850618
CID 18963638
CID 18963638
CID 156703018
CID 156703018
2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane
CID 14810466
2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane
CID 89079349
(2S)-2-[[(1R)-1-(4-methylphenyl)ethoxy]methyl]oxirane
CID 97180239
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane
CID 2507807
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
2-(propan-2-yloxymethyl)oxirane
CID 159998967

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane?
The IUPAC name of 2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane (CID 174820293) is 2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane.
What is the SMILES notation for 2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane?
The canonical SMILES for 2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane is CCC(Cc1ccc(CC(CC)OCC2CO2)cc1)OCC1CO1.
What is the InChIKey of 2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane?
The InChIKey is QPICYRWLNSIAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-3-17(21-11-19-13-23-19)9-15-5-7-16(8-6-15)10-18(4-2)22-12-20-14-24-20/h5-8,17-20H,3-4,9-14H2,1-2H3.
What are the key properties of 2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane?
2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane has a molecular weight of 334.46 g/mol, XLogP of 3.16, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane is sourced from PubChem (CID 174820293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).