2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane

C65H86O14 — CID 157435462

IUPAC2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane
SMILESC1OC1CC(CC1CO1)(CC1CO1)CC1CO1.CC(C)C.CC(C)c1ccccc1OCC1CO1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1
InChIInChI=1S/C13H20O4.C12H16O2.4C9H10O2.C4H10/c1(9-5-14-9)13(2-10-6-15-10,3-11-7-16-11)4-12-8-17-12;1-9(2)11-5-3-4-6-12(11)14-8-10-7-13-10;4*1-2-4-8(5-3-1)10-6-9-7-11-9;1-4(2)3/h9-12H,1-8H2;3-6,9-10H,7-8H2,1-2H3;4*1-5,9H,6-7H2;4H,1-3H3
InChIKeyBRAUPZVZQYIUAM-UHFFFAOYSA-N
MW1091.39 g/mol
LogP11.24
Rot. Bonds24

About 2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane

2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane (PubChem CID 157435462) has the molecular formula C65H86O14 and a molecular weight of 1091.39 g/mol. Its IUPAC name is 2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane
PubChem CID157435462
Molecular FormulaC65H86O14
Molecular Weight1091.39 g/mol
Exact Mass1090.60
IUPAC Name2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane
SMILESC1OC1CC(CC1CO1)(CC1CO1)CC1CO1.CC(C)C.CC(C)c1ccccc1OCC1CO1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1
InChIInChI=1S/C13H20O4.C12H16O2.4C9H10O2.C4H10/c1(9-5-14-9)13(2-10-6-15-10,3-11-7-16-11)4-12-8-17-12;1-9(2)11-5-3-4-6-12(11)14-8-10-7-13-10;4*1-2-4-8(5-3-1)10-6-9-7-11-9;1-4(2)3/h9-12H,1-8H2;3-6,9-10H,7-8H2,1-2H3;4*1-5,9H,6-7H2;4H,1-3H3
InChIKeyBRAUPZVZQYIUAM-UHFFFAOYSA-N
XLogP11.24
TPSA158.92 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001091.39
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane with MolForge

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Related Compounds

2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
CID 23044383
ethene;2-(phenoxymethyl)oxirane
CID 135283522
carbanide;ethane;methane;tris(2-(phenoxymethyl)oxirane);bis(yttrium)
CID 162167972
cumene;ethane;bis(2-(methoxymethyl)oxirane);tris(2-(phenoxymethyl)oxirane)
CID 158628224
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707
2,3-dimethylbutane;tris(2-(phenoxymethyl)oxirane);4-phenyldioxolane
CID 158711224
bis(1,4-diethylbenzene);tris(2-(phenoxymethyl)oxirane)
CID 158955106
2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane
CID 151987965
[dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 88606806

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane?
The IUPAC name of 2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane (CID 157435462) is 2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane.
What is the SMILES notation for 2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane?
The canonical SMILES for 2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane is C1OC1CC(CC1CO1)(CC1CO1)CC1CO1.CC(C)C.CC(C)c1ccccc1OCC1CO1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane?
The InChIKey is BRAUPZVZQYIUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4.C12H16O2.4C9H10O2.C4H10/c1(9-5-14-9)13(2-10-6-15-10,3-11-7-16-11)4-12-8-17-12;1-9(2)11-5-3-4-6-12(11)14-8-10-7-13-10;4*1-2-4-8(5-3-1)10-6-9-7-11-9;1-4(2)3/h9-12H,1-8H2;3-6,9-10H,7-8H2,1-2H3;4*1-5,9H,6-7H2;4H,1-3H3.
What are the key properties of 2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane?
2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane has a molecular weight of 1091.39 g/mol, XLogP of 11.24, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane is sourced from PubChem (CID 157435462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).