2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane

C19H28O6 — CID 23113216

IUPAC2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane
SMILESC1OC1COC12CC3CC(OCC4CO4)(C1)CC(OCC1CO1)(C3)C2
InChIInChI=1S/C19H28O6/c1-13-2-18(24-8-15-5-21-15)10-17(1,23-7-14-4-20-14)11-19(3-13,12-18)25-9-16-6-22-16/h13-16H,1-12H2
InChIKeyQIARDFZURDQWEG-UHFFFAOYSA-N
MW352.43 g/mol
LogP1.45
Rot. Bonds9

About 2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane

2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane (PubChem CID 23113216) has the molecular formula C19H28O6 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane
PubChem CID23113216
Molecular FormulaC19H28O6
Molecular Weight352.43 g/mol
Exact Mass352.19
IUPAC Name2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane
SMILESC1OC1COC12CC3CC(OCC4CO4)(C1)CC(OCC1CO1)(C3)C2
InChIInChI=1S/C19H28O6/c1-13-2-18(24-8-15-5-21-15)10-17(1,23-7-14-4-20-14)11-19(3-13,12-18)25-9-16-6-22-16/h13-16H,1-12H2
InChIKeyQIARDFZURDQWEG-UHFFFAOYSA-N
XLogP1.45
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3,5-bis[2-(oxiran-2-yl)ethoxy]-1-adamantyl] prop-2-enoate
CID 141216737
bis(oxiran-2-ylmethyl) 5-(2-aminoacetyl)oxyadamantane-1,3-dicarboxylate
CID 163683848
2-[[3,5-bis(1-adamantyloxy)phenoxy]methyl]oxirane
CID 87124707
2-[(1-methylcyclobutyl)oxymethyl]oxirane
CID 175392123
2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane
CID 59687219
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
2-[(1-ethylcyclobutyl)oxymethyl]oxirane
CID 175392110
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
[(2R)-oxiran-2-yl]methyl adamantane-1-carboxylate
CID 915609
2-[[2,4,6-tris(1-adamantyloxy)phenoxy]methyl]oxirane
CID 87124661
2-[(1-ethylcyclohexyl)oxymethyl]oxirane
CID 19817909
2-[[3-[3,5-bis[2,3,4-tris(oxiran-2-ylmethoxy)phenyl]-1-adamantyl]-2,6-bis(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 87570449

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane?
The IUPAC name of 2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane (CID 23113216) is 2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane?
The canonical SMILES for 2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane is C1OC1COC12CC3CC(OCC4CO4)(C1)CC(OCC1CO1)(C3)C2.
What is the InChIKey of 2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane?
The InChIKey is QIARDFZURDQWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O6/c1-13-2-18(24-8-15-5-21-15)10-17(1,23-7-14-4-20-14)11-19(3-13,12-18)25-9-16-6-22-16/h13-16H,1-12H2.
What are the key properties of 2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane?
2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane has a molecular weight of 352.43 g/mol, XLogP of 1.45, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane is sourced from PubChem (CID 23113216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).