(2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane

C10H17IO — CID 11425969

IUPAC(2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane
SMILESCC(C)=CCC[C@@]1(C)O[C@@H]1CI
InChIInChI=1S/C10H17IO/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,9H,4,6-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyAWAUZISYHREEIC-NXEZZACHSA-N
MW280.15 g/mol
LogP3.33
Rot. Bonds4

About (2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane

(2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane (PubChem CID 11425969) has the molecular formula C10H17IO and a molecular weight of 280.15 g/mol. Its IUPAC name is (2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane.

Molecular Properties

Compound Name(2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane
PubChem CID11425969
Molecular FormulaC10H17IO
Molecular Weight280.15 g/mol
Exact Mass280.03
IUPAC Name(2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane
SMILESCC(C)=CCC[C@@]1(C)O[C@@H]1CI
InChIInChI=1S/C10H17IO/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,9H,4,6-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyAWAUZISYHREEIC-NXEZZACHSA-N
XLogP3.33
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'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)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane?
The IUPAC name of (2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane (CID 11425969) is (2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane.
What is the SMILES notation for (2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane?
The canonical SMILES for (2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane is CC(C)=CCC[C@@]1(C)O[C@@H]1CI.
What is the InChIKey of (2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane?
The InChIKey is AWAUZISYHREEIC-NXEZZACHSA-N. The full InChI is InChI=1S/C10H17IO/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,9H,4,6-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane?
(2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane has a molecular weight of 280.15 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane is sourced from PubChem (CID 11425969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).