2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane

C12H22O4 — CID 130365137

IUPAC2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCCCC1CO1
InChIInChI=1S/C6H10O3.C6H12O/c1(5-3-8-5)7-2-6-4-9-6;1-2-3-4-6-5-7-6/h5-6H,1-4H2;6H,2-5H2,1H3
InChIKeyFDSZTUPDIDOQRA-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.38
Rot. Bonds7

About 2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane

2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 130365137) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID130365137
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCCCC1CO1
InChIInChI=1S/C6H10O3.C6H12O/c1(5-3-8-5)7-2-6-4-9-6;1-2-3-4-6-5-7-6/h5-6H,1-4H2;6H,2-5H2,1H3
InChIKeyFDSZTUPDIDOQRA-UHFFFAOYSA-N
XLogP1.38
TPSA46.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.38
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-butyloxirane;diiminoazanium;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175336775
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
2-butyloxirane;trimethylsilane
CID 174652516
(2R)-2-pentyloxirane
CID 11147691
CID 166063430
CID 166063430
2-(pentoxymethyl)oxirane
CID 160890113
hexane;hexane-1,6-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174849924
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005

Frequently Asked Questions

What is the IUPAC name of 2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 130365137) is 2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.CCCCC1CO1.
What is the InChIKey of 2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is FDSZTUPDIDOQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C6H12O/c1(5-3-8-5)7-2-6-4-9-6;1-2-3-4-6-5-7-6/h5-6H,1-4H2;6H,2-5H2,1H3.
What are the key properties of 2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane?
2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 230.30 g/mol, XLogP of 1.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 130365137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).