2-butoxy-3-methyloxirane

C7H14O2 — CID 87674208

IUPAC2-butoxy-3-methyloxirane
SMILESCCCCOC1OC1C
InChIInChI=1S/C7H14O2/c1-3-4-5-8-7-6(2)9-7/h6-7H,3-5H2,1-2H3
InChIKeyCUIODKLCVPKRIF-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.55
Rot. Bonds4

About 2-butoxy-3-methyloxirane

2-butoxy-3-methyloxirane (PubChem CID 87674208) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-butoxy-3-methyloxirane.

Molecular Properties

Compound Name2-butoxy-3-methyloxirane
PubChem CID87674208
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-butoxy-3-methyloxirane
SMILESCCCCOC1OC1C
InChIInChI=1S/C7H14O2/c1-3-4-5-8-7-6(2)9-7/h6-7H,3-5H2,1-2H3
InChIKeyCUIODKLCVPKRIF-UHFFFAOYSA-N
XLogP1.55
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane
CID 158078208
2-(3,3-dimethylbutoxy)-3-methyloxirane
CID 91327562
2-butoxy-4,6-dimethyloxane-3,4,5-triol
CID 162936951
(2R,3R,4S,5R,6R)-2-heptoxy-6-methyloxane-3,4,5-triol
CID 102241828
(3S,4R,5S,6S)-2-dodecoxy-6-methyloxane-3,4,5-triol
CID 90849789
(3S)-3-butoxy-2-methyl-2,3-dihydro-1,4-benzodioxine
CID 154992776
(2S,3R,6S)-3,4,5-tributoxy-2-methyl-6-propan-2-yloxane
CID 71163839
(2S,3R,4R,5R,6R)-2-butoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 14393381
(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-6-butoxy-4-hydroxy-2-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 162965326
(2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane
CID 59926190
(2R,3R,4S,5S)-4,5-dibutoxy-2-(hydroxymethyl)oxolan-3-ol
CID 71286385
(1S,5R)-3-butoxy-6-oxabicyclo[3.1.0]hexane
CID 126664173

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-3-methyloxirane?
The IUPAC name of 2-butoxy-3-methyloxirane (CID 87674208) is 2-butoxy-3-methyloxirane.
What is the SMILES notation for 2-butoxy-3-methyloxirane?
The canonical SMILES for 2-butoxy-3-methyloxirane is CCCCOC1OC1C.
What is the InChIKey of 2-butoxy-3-methyloxirane?
The InChIKey is CUIODKLCVPKRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-5-8-7-6(2)9-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-butoxy-3-methyloxirane?
2-butoxy-3-methyloxirane has a molecular weight of 130.19 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-3-methyloxirane is sourced from PubChem (CID 87674208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).