(2R,3S)-2-ethyl-3-heptyloxirane

C11H22O — CID 131847730

IUPAC(2R,3S)-2-ethyl-3-heptyloxirane
SMILESCCCCCCC[C@@H]1O[C@@H]1CC
InChIInChI=1S/C11H22O/c1-3-5-6-7-8-9-11-10(4-2)12-11/h10-11H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyMKEISLUOZPVPJD-MNOVXSKESA-N
MW170.30 g/mol
LogP3.52
Rot. Bonds7

About (2R,3S)-2-ethyl-3-heptyloxirane

(2R,3S)-2-ethyl-3-heptyloxirane (PubChem CID 131847730) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-3-heptyloxirane.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-3-heptyloxirane
PubChem CID131847730
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(2R,3S)-2-ethyl-3-heptyloxirane
SMILESCCCCCCC[C@@H]1O[C@@H]1CC
InChIInChI=1S/C11H22O/c1-3-5-6-7-8-9-11-10(4-2)12-11/h10-11H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyMKEISLUOZPVPJD-MNOVXSKESA-N
XLogP3.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethyl-3-heptyloxirane?
The IUPAC name of (2R,3S)-2-ethyl-3-heptyloxirane (CID 131847730) is (2R,3S)-2-ethyl-3-heptyloxirane.
What is the SMILES notation for (2R,3S)-2-ethyl-3-heptyloxirane?
The canonical SMILES for (2R,3S)-2-ethyl-3-heptyloxirane is CCCCCCC[C@@H]1O[C@@H]1CC.
What is the InChIKey of (2R,3S)-2-ethyl-3-heptyloxirane?
The InChIKey is MKEISLUOZPVPJD-MNOVXSKESA-N. The full InChI is InChI=1S/C11H22O/c1-3-5-6-7-8-9-11-10(4-2)12-11/h10-11H,3-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (2R,3S)-2-ethyl-3-heptyloxirane?
(2R,3S)-2-ethyl-3-heptyloxirane has a molecular weight of 170.30 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-3-heptyloxirane is sourced from PubChem (CID 131847730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).