2-[[2,5-bis(2-methylbutan-2-yl)-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

C22H34O4 — CID 139814458

IUPAC2-[[2,5-bis(2-methylbutan-2-yl)-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
SMILESCCC(C)(C)c1cc(OCC2CO2)c(C(C)(C)CC)cc1OCC1CO1
InChIInChI=1S/C22H34O4/c1-7-21(3,4)17-9-20(26-14-16-12-24-16)18(22(5,6)8-2)10-19(17)25-13-15-11-23-15/h9-10,15-16H,7-8,11-14H2,1-6H3
InChIKeyGFIIWMPAPCEMGD-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.62
Rot. Bonds10

About 2-[[2,5-bis(2-methylbutan-2-yl)-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

2-[[2,5-bis(2-methylbutan-2-yl)-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane (PubChem CID 139814458) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol. Its IUPAC name is 2-[[2,5-bis(2-methylbutan-2-yl)-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2,5-bis(2-methylbutan-2-yl)-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
PubChem CID139814458
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name2-[[2,5-bis(2-methylbutan-2-yl)-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
SMILESCCC(C)(C)c1cc(OCC2CO2)c(C(C)(C)CC)cc1OCC1CO1
InChIInChI=1S/C22H34O4/c1-7-21(3,4)17-9-20(26-14-16-12-24-16)18(22(5,6)8-2)10-19(17)25-13-15-11-23-15/h9-10,15-16H,7-8,11-14H2,1-6H3
InChIKeyGFIIWMPAPCEMGD-UHFFFAOYSA-N
XLogP4.62
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.62
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-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirene
CID 137484807
1,3-bis[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol
CID 20654507
2-[[2-tert-butyl-4-[1-[5-tert-butyl-2-methyl-4-(oxiran-2-ylmethoxy)phenyl]butyl]-5-methylphenoxy]methyl]oxirane
CID 87405459
2-[[4-methyl-2-[2-methyl-1-[5-methyl-3-[2-methyl-1-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 156863408
2-[2-[4-[2-[3,5-bis(2-methylbutan-2-yl)-4-[2-(oxiran-2-yl)ethoxy]phenyl]ethyl]-2,6-bis(2-methylbutan-2-yl)phenoxy]ethyl]oxirane
CID 87443257
2-[[6,12,19-triethoxy-13,20-bis(oxiran-2-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]oxirane
CID 102586513
2-[[6,11-bis(oxiran-2-ylmethoxy)-3,7,10-tripentoxytriphenylen-2-yl]oxymethyl]oxirane
CID 101443602
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 167599846
2-[[2-(1,1,2-tribromopropan-2-yl)phenoxy]methyl]oxirane
CID 88693967
2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 156790199
1,3-bis[2-tert-butyl-4-[5-tert-butyl-2-methyl-4-(oxiran-2-ylmethoxy)phenyl]sulfanyl-5-methylphenoxy]propan-2-ol
CID 101207609

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-bis(2-methylbutan-2-yl)-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2,5-bis(2-methylbutan-2-yl)-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane (CID 139814458) is 2-[[2,5-bis(2-methylbutan-2-yl)-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2,5-bis(2-methylbutan-2-yl)-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2,5-bis(2-methylbutan-2-yl)-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane is CCC(C)(C)c1cc(OCC2CO2)c(C(C)(C)CC)cc1OCC1CO1.
What is the InChIKey of 2-[[2,5-bis(2-methylbutan-2-yl)-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The InChIKey is GFIIWMPAPCEMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O4/c1-7-21(3,4)17-9-20(26-14-16-12-24-16)18(22(5,6)8-2)10-19(17)25-13-15-11-23-15/h9-10,15-16H,7-8,11-14H2,1-6H3.
What are the key properties of 2-[[2,5-bis(2-methylbutan-2-yl)-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
2-[[2,5-bis(2-methylbutan-2-yl)-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane has a molecular weight of 362.51 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-bis(2-methylbutan-2-yl)-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane is sourced from PubChem (CID 139814458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).