(2S,3R)-2-butyl-3-(methoxymethyl)oxirane

C8H16O2 — CID 15326198

IUPAC(2S,3R)-2-butyl-3-(methoxymethyl)oxirane
SMILESCCCC[C@@H]1O[C@@H]1COC
InChIInChI=1S/C8H16O2/c1-3-4-5-7-8(10-7)6-9-2/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyJVSUGQBKSQCLAH-JGVFFNPUSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds5

About (2S,3R)-2-butyl-3-(methoxymethyl)oxirane

(2S,3R)-2-butyl-3-(methoxymethyl)oxirane (PubChem CID 15326198) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2S,3R)-2-butyl-3-(methoxymethyl)oxirane.

Molecular Properties

Compound Name(2S,3R)-2-butyl-3-(methoxymethyl)oxirane
PubChem CID15326198
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2S,3R)-2-butyl-3-(methoxymethyl)oxirane
SMILESCCCC[C@@H]1O[C@@H]1COC
InChIInChI=1S/C8H16O2/c1-3-4-5-7-8(10-7)6-9-2/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyJVSUGQBKSQCLAH-JGVFFNPUSA-N
XLogP1.59
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethyl)-3-pentyloxirane
CID 18795099
(2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane
CID 14928829
(2R,3S)-2-butyl-3-propyloxirane
CID 13394975
2-butyl-3-undecyloxirane
CID 88518775
2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane
CID 56989250
(2S,3R)-2-(2-methoxyethyl)-3-octyloxirane
CID 71399049
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
(2S,3S)-2,3-dioctyloxirane
CID 71399050
2-hexyl-3-pentadecyloxirane
CID 21447526
2-heptyl-3-octyloxirane
CID 57269313
(3-hexyloxiran-2-yl)methyl formate
CID 101414177
2-ethyl-3-henicosyloxirane
CID 20501424

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-butyl-3-(methoxymethyl)oxirane?
The IUPAC name of (2S,3R)-2-butyl-3-(methoxymethyl)oxirane (CID 15326198) is (2S,3R)-2-butyl-3-(methoxymethyl)oxirane.
What is the SMILES notation for (2S,3R)-2-butyl-3-(methoxymethyl)oxirane?
The canonical SMILES for (2S,3R)-2-butyl-3-(methoxymethyl)oxirane is CCCC[C@@H]1O[C@@H]1COC.
What is the InChIKey of (2S,3R)-2-butyl-3-(methoxymethyl)oxirane?
The InChIKey is JVSUGQBKSQCLAH-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-5-7-8(10-7)6-9-2/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (2S,3R)-2-butyl-3-(methoxymethyl)oxirane?
(2S,3R)-2-butyl-3-(methoxymethyl)oxirane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-butyl-3-(methoxymethyl)oxirane is sourced from PubChem (CID 15326198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).