1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane

C15H30O2 — CID 159309218

IUPAC1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane
SMILESCC1CC(C)C1.CC1OC1C.CCC1OC1C
InChIInChI=1S/C6H12.C5H10O.C4H8O/c1-5-3-6(2)4-5;1-3-5-4(2)6-5;1-3-4(2)5-3/h5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3;3-4H,1-2H3
InChIKeyLCHYFRVROIELHE-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.03
Rot. Bonds1

About 1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane

1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane (PubChem CID 159309218) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane.

Molecular Properties

Compound Name1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane
PubChem CID159309218
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane
SMILESCC1CC(C)C1.CC1OC1C.CCC1OC1C
InChIInChI=1S/C6H12.C5H10O.C4H8O/c1-5-3-6(2)4-5;1-3-5-4(2)6-5;1-3-4(2)5-3/h5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3;3-4H,1-2H3
InChIKeyLCHYFRVROIELHE-UHFFFAOYSA-N
XLogP4.03
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane with MolForge

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Related Compounds

ethane;2-ethyl-3-methyloxirane;7-oxabicyclo[4.1.0]heptane
CID 158159341
(2S,3S)-2-ethyl-3,4,5-trimethyloxolane
CID 59088156
2-ethyl-3-methoxy-5,6-dimethyloxane
CID 148593418
(2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane
CID 59944457
(3S,4R,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91273556
(3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91456258
(3R,4S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 90919001
(2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59996451
(2R,3S,4R,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59834182
2-ethyl-3-methoxy-4,5,6-trimethyloxane
CID 20632118
(3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane
CID 159477864
2,3,5-triethyl-4,6-dimethyloxane
CID 91375231

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane?
The IUPAC name of 1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane (CID 159309218) is 1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane.
What is the SMILES notation for 1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane?
The canonical SMILES for 1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane is CC1CC(C)C1.CC1OC1C.CCC1OC1C.
What is the InChIKey of 1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane?
The InChIKey is LCHYFRVROIELHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H10O.C4H8O/c1-5-3-6(2)4-5;1-3-5-4(2)6-5;1-3-4(2)5-3/h5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3;3-4H,1-2H3.
What are the key properties of 1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane?
1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane has a molecular weight of 242.40 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane is sourced from PubChem (CID 159309218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).