2-(oxiran-2-ylmethoxymethyl)-2-pentyloxirane

C11H20O3 — CID 142743702

IUPAC2-(oxiran-2-ylmethoxymethyl)-2-pentyloxirane
SMILESCCCCCC1(COCC2CO2)CO1
InChIInChI=1S/C11H20O3/c1-2-3-4-5-11(9-14-11)8-12-6-10-7-13-10/h10H,2-9H2,1H3
InChIKeyCSWDVOCZFMCDNV-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.75
Rot. Bonds8

About 2-(oxiran-2-ylmethoxymethyl)-2-pentyloxirane

2-(oxiran-2-ylmethoxymethyl)-2-pentyloxirane (PubChem CID 142743702) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)-2-pentyloxirane.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)-2-pentyloxirane
PubChem CID142743702
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(oxiran-2-ylmethoxymethyl)-2-pentyloxirane
SMILESCCCCCC1(COCC2CO2)CO1
InChIInChI=1S/C11H20O3/c1-2-3-4-5-11(9-14-11)8-12-6-10-7-13-10/h10H,2-9H2,1H3
InChIKeyCSWDVOCZFMCDNV-UHFFFAOYSA-N
XLogP1.75
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.75
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

2-octadecyl-2-(oxiran-2-ylmethoxymethyl)oxirane
CID 139720697
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
2-(pentoxymethyl)oxirane
CID 160890113
2-hexadecyl-2-tetradecyloxirane
CID 71421731
(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
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(chloromethyl)-2-heptyloxirane
CID 86123992
2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 130365137
CID 166063430
CID 166063430

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)-2-pentyloxirane?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)-2-pentyloxirane (CID 142743702) is 2-(oxiran-2-ylmethoxymethyl)-2-pentyloxirane.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)-2-pentyloxirane?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)-2-pentyloxirane is CCCCCC1(COCC2CO2)CO1.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)-2-pentyloxirane?
The InChIKey is CSWDVOCZFMCDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-3-4-5-11(9-14-11)8-12-6-10-7-13-10/h10H,2-9H2,1H3.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)-2-pentyloxirane?
2-(oxiran-2-ylmethoxymethyl)-2-pentyloxirane has a molecular weight of 200.28 g/mol, XLogP of 1.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)-2-pentyloxirane is sourced from PubChem (CID 142743702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).