1-[(2R)-oxiran-2-yl]hexan-1-one

C8H14O2 — CID 177406041

IUPAC1-[(2R)-oxiran-2-yl]hexan-1-one
SMILESCCCCCC(=O)[C@H]1CO1
InChIInChI=1S/C8H14O2/c1-2-3-4-5-7(9)8-6-10-8/h8H,2-6H2,1H3/t8-/m1/s1
InChIKeyPVYYIRUNPBMAIP-MRVPVSSYSA-N
MW142.20 g/mol
LogP1.53
Rot. Bonds5

About 1-[(2R)-oxiran-2-yl]hexan-1-one

1-[(2R)-oxiran-2-yl]hexan-1-one (PubChem CID 177406041) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-[(2R)-oxiran-2-yl]hexan-1-one.

Molecular Properties

Compound Name1-[(2R)-oxiran-2-yl]hexan-1-one
PubChem CID177406041
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-[(2R)-oxiran-2-yl]hexan-1-one
SMILESCCCCCC(=O)[C@H]1CO1
InChIInChI=1S/C8H14O2/c1-2-3-4-5-7(9)8-6-10-8/h8H,2-6H2,1H3/t8-/m1/s1
InChIKeyPVYYIRUNPBMAIP-MRVPVSSYSA-N
XLogP1.53
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': '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 1-[(2R)-oxiran-2-yl]hexan-1-one?
The IUPAC name of 1-[(2R)-oxiran-2-yl]hexan-1-one (CID 177406041) is 1-[(2R)-oxiran-2-yl]hexan-1-one.
What is the SMILES notation for 1-[(2R)-oxiran-2-yl]hexan-1-one?
The canonical SMILES for 1-[(2R)-oxiran-2-yl]hexan-1-one is CCCCCC(=O)[C@H]1CO1.
What is the InChIKey of 1-[(2R)-oxiran-2-yl]hexan-1-one?
The InChIKey is PVYYIRUNPBMAIP-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-4-5-7(9)8-6-10-8/h8H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of 1-[(2R)-oxiran-2-yl]hexan-1-one?
1-[(2R)-oxiran-2-yl]hexan-1-one has a molecular weight of 142.20 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-oxiran-2-yl]hexan-1-one is sourced from PubChem (CID 177406041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).