2-[4-(oxiran-2-yl)butyl]-3-[2-(oxiran-2-yl)ethyl]oxirane

C12H20O3 — CID 175535094

IUPAC2-[4-(oxiran-2-yl)butyl]-3-[2-(oxiran-2-yl)ethyl]oxirane
SMILESC(CCC1OC1CCC1CO1)CC1CO1
InChIInChI=1S/C12H20O3/c1(3-9-7-13-9)2-4-11-12(15-11)6-5-10-8-14-10/h9-12H,1-8H2
InChIKeyDOPYYXSZIFZLKU-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.89
Rot. Bonds8

About 2-[4-(oxiran-2-yl)butyl]-3-[2-(oxiran-2-yl)ethyl]oxirane

2-[4-(oxiran-2-yl)butyl]-3-[2-(oxiran-2-yl)ethyl]oxirane (PubChem CID 175535094) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[4-(oxiran-2-yl)butyl]-3-[2-(oxiran-2-yl)ethyl]oxirane.

Molecular Properties

Compound Name2-[4-(oxiran-2-yl)butyl]-3-[2-(oxiran-2-yl)ethyl]oxirane
PubChem CID175535094
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-[4-(oxiran-2-yl)butyl]-3-[2-(oxiran-2-yl)ethyl]oxirane
SMILESC(CCC1OC1CCC1CO1)CC1CO1
InChIInChI=1S/C12H20O3/c1(3-9-7-13-9)2-4-11-12(15-11)6-5-10-8-14-10/h9-12H,1-8H2
InChIKeyDOPYYXSZIFZLKU-UHFFFAOYSA-N
XLogP1.89
TPSA37.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2:4,5:9,10-Triepoxydecane
CID 40323
Oxirane, 2,2'-(1,6-hexanediyl)bis-
CID 32721
1,2:5,6-Diepoxycyclooctane
CID 91447
1,2,6,7-Diepoxyheptane
CID 20241
1,2:8,9-Diepoxynonane
CID 32683
Oxirane, 2,2'-(1,10-decanediyl)bis-
CID 6455150
Mono(2,3-epoxypropyl)propylether
CID 57128505
2-(3-Nonoxypropyl)oxirane
CID 15686950
1,8-Di(oxiran-2-yl)octane
CID 11287095
(2R)-2-[3-[(2R)-oxiran-2-yl]propyl]oxirane
CID 12093429
2-(3-Methoxybutyl)-3-methyloxirane
CID 88560295
(1S,3R,5S,7R,9S,11S,13R,15R)-4,8,12,16-tetraoxapentacyclo[13.1.0.03,5.07,9.011,13]hexadecane
CID 11031496

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxiran-2-yl)butyl]-3-[2-(oxiran-2-yl)ethyl]oxirane?
The IUPAC name of 2-[4-(oxiran-2-yl)butyl]-3-[2-(oxiran-2-yl)ethyl]oxirane (CID 175535094) is 2-[4-(oxiran-2-yl)butyl]-3-[2-(oxiran-2-yl)ethyl]oxirane.
What is the SMILES notation for 2-[4-(oxiran-2-yl)butyl]-3-[2-(oxiran-2-yl)ethyl]oxirane?
The canonical SMILES for 2-[4-(oxiran-2-yl)butyl]-3-[2-(oxiran-2-yl)ethyl]oxirane is C(CCC1OC1CCC1CO1)CC1CO1.
What is the InChIKey of 2-[4-(oxiran-2-yl)butyl]-3-[2-(oxiran-2-yl)ethyl]oxirane?
The InChIKey is DOPYYXSZIFZLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1(3-9-7-13-9)2-4-11-12(15-11)6-5-10-8-14-10/h9-12H,1-8H2.
What are the key properties of 2-[4-(oxiran-2-yl)butyl]-3-[2-(oxiran-2-yl)ethyl]oxirane?
2-[4-(oxiran-2-yl)butyl]-3-[2-(oxiran-2-yl)ethyl]oxirane has a molecular weight of 212.29 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxiran-2-yl)butyl]-3-[2-(oxiran-2-yl)ethyl]oxirane is sourced from PubChem (CID 175535094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).