(2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane

C10H16O — CID 6429141

IUPAC(2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane
SMILESC=C[C@@]1(C)O[C@H]1CC=C(C)C
InChIInChI=1S/C10H16O/c1-5-10(4)9(11-10)7-6-8(2)3/h5-6,9H,1,7H2,2-4H3/t9-,10+/m0/s1
InChIKeyDUBZPCHJCIFTKB-VHSXEESVSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds3

About (2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane

(2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane (PubChem CID 6429141) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane.

Molecular Properties

Compound Name(2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane
PubChem CID6429141
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane
SMILESC=C[C@@]1(C)O[C@H]1CC=C(C)C
InChIInChI=1S/C10H16O/c1-5-10(4)9(11-10)7-6-8(2)3/h5-6,9H,1,7H2,2-4H3/t9-,10+/m0/s1
InChIKeyDUBZPCHJCIFTKB-VHSXEESVSA-N
XLogP2.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane?
The IUPAC name of (2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane (CID 6429141) is (2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane.
What is the SMILES notation for (2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane?
The canonical SMILES for (2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane is C=C[C@@]1(C)O[C@H]1CC=C(C)C.
What is the InChIKey of (2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane?
The InChIKey is DUBZPCHJCIFTKB-VHSXEESVSA-N. The full InChI is InChI=1S/C10H16O/c1-5-10(4)9(11-10)7-6-8(2)3/h5-6,9H,1,7H2,2-4H3/t9-,10+/m0/s1.
What are the key properties of (2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane?
(2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane has a molecular weight of 152.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethenyl-2-methyl-3-(3-methylbut-2-enyl)oxirane is sourced from PubChem (CID 6429141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).