(2R,3S)-2-ethyl-3-propyloxirane-2-carbaldehyde

C8H14O2 — CID 124705591

IUPAC(2R,3S)-2-ethyl-3-propyloxirane-2-carbaldehyde
SMILESCCC[C@@H]1O[C@]1(C=O)CC
InChIInChI=1S/C8H14O2/c1-3-5-7-8(4-2,6-9)10-7/h6-7H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyLZEPVTCZYUAPNA-YUMQZZPRSA-N
MW142.20 g/mol
LogP1.53
Rot. Bonds4

About (2R,3S)-2-ethyl-3-propyloxirane-2-carbaldehyde

(2R,3S)-2-ethyl-3-propyloxirane-2-carbaldehyde (PubChem CID 124705591) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-3-propyloxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-3-propyloxirane-2-carbaldehyde
PubChem CID124705591
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(2R,3S)-2-ethyl-3-propyloxirane-2-carbaldehyde
SMILESCCC[C@@H]1O[C@]1(C=O)CC
InChIInChI=1S/C8H14O2/c1-3-5-7-8(4-2,6-9)10-7/h6-7H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyLZEPVTCZYUAPNA-YUMQZZPRSA-N
XLogP1.53
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-propyloxirane-2-carbaldehyde?
The IUPAC name of (2R,3S)-2-ethyl-3-propyloxirane-2-carbaldehyde (CID 124705591) is (2R,3S)-2-ethyl-3-propyloxirane-2-carbaldehyde.
What is the SMILES notation for (2R,3S)-2-ethyl-3-propyloxirane-2-carbaldehyde?
The canonical SMILES for (2R,3S)-2-ethyl-3-propyloxirane-2-carbaldehyde is CCC[C@@H]1O[C@]1(C=O)CC.
What is the InChIKey of (2R,3S)-2-ethyl-3-propyloxirane-2-carbaldehyde?
The InChIKey is LZEPVTCZYUAPNA-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-7-8(4-2,6-9)10-7/h6-7H,3-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2R,3S)-2-ethyl-3-propyloxirane-2-carbaldehyde?
(2R,3S)-2-ethyl-3-propyloxirane-2-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-3-propyloxirane-2-carbaldehyde is sourced from PubChem (CID 124705591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).