(2R)-2-[(2S)-but-3-en-2-yl]oxirane

C6H10O — CID 10103123

IUPAC(2R)-2-[(2S)-but-3-en-2-yl]oxirane
SMILESC=C[C@H](C)[C@@H]1CO1
InChIInChI=1S/C6H10O/c1-3-5(2)6-4-7-6/h3,5-6H,1,4H2,2H3/t5-,6-/m0/s1
InChIKeyUHYHMDDNVCJWRY-WDSKDSINSA-N
MW98.14 g/mol
LogP1.21
Rot. Bonds2

About (2R)-2-[(2S)-but-3-en-2-yl]oxirane

(2R)-2-[(2S)-but-3-en-2-yl]oxirane (PubChem CID 10103123) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is (2R)-2-[(2S)-but-3-en-2-yl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(2S)-but-3-en-2-yl]oxirane
PubChem CID10103123
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name(2R)-2-[(2S)-but-3-en-2-yl]oxirane
SMILESC=C[C@H](C)[C@@H]1CO1
InChIInChI=1S/C6H10O/c1-3-5(2)6-4-7-6/h3,5-6H,1,4H2,2H3/t5-,6-/m0/s1
InChIKeyUHYHMDDNVCJWRY-WDSKDSINSA-N
XLogP1.21
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine
CID 101488014
2-[1-[1-(oxiran-2-yl)prop-2-enylsulfanyl]prop-2-enyl]oxirane
CID 54063311
(4S)-4-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxane
CID 11957882
2-methyloxirane;bis(prop-1-ene)
CID 157154960
1-(oxiran-2-yl)ethanethiol
CID 141230840
ethane;2-methyloxirane;prop-1-ene
CID 159933828
(2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol
CID 11240621
(2R,3S)-2-[(2R)-but-3-en-2-yl]oxan-3-ol
CID 46895046
(1S)-2-methyl-1-[(2S)-oxiran-2-yl]propan-1-ol
CID 12636241
4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane
CID 89185143
(2R)-2-[(1R)-1-methoxyethyl]oxirane
CID 124579088
2-methyloxirane;prop-2-enal
CID 159099687

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-but-3-en-2-yl]oxirane?
The IUPAC name of (2R)-2-[(2S)-but-3-en-2-yl]oxirane (CID 10103123) is (2R)-2-[(2S)-but-3-en-2-yl]oxirane.
What is the SMILES notation for (2R)-2-[(2S)-but-3-en-2-yl]oxirane?
The canonical SMILES for (2R)-2-[(2S)-but-3-en-2-yl]oxirane is C=C[C@H](C)[C@@H]1CO1.
What is the InChIKey of (2R)-2-[(2S)-but-3-en-2-yl]oxirane?
The InChIKey is UHYHMDDNVCJWRY-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10O/c1-3-5(2)6-4-7-6/h3,5-6H,1,4H2,2H3/t5-,6-/m0/s1.
What are the key properties of (2R)-2-[(2S)-but-3-en-2-yl]oxirane?
(2R)-2-[(2S)-but-3-en-2-yl]oxirane has a molecular weight of 98.14 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-but-3-en-2-yl]oxirane is sourced from PubChem (CID 10103123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).