(2R)-2-pentyloxirane

C7H14O — CID 11147691

IUPAC(2R)-2-pentyloxirane
SMILESCCCCC[C@@H]1CO1
InChIInChI=1S/C7H14O/c1-2-3-4-5-7-6-8-7/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyNMOFYYYCFRVWBK-SSDOTTSWSA-N
MW114.19 g/mol
LogP1.97
Rot. Bonds4

About (2R)-2-pentyloxirane

(2R)-2-pentyloxirane (PubChem CID 11147691) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (2R)-2-pentyloxirane.

Molecular Properties

Compound Name(2R)-2-pentyloxirane
PubChem CID11147691
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(2R)-2-pentyloxirane
SMILESCCCCC[C@@H]1CO1
InChIInChI=1S/C7H14O/c1-2-3-4-5-7-6-8-7/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyNMOFYYYCFRVWBK-SSDOTTSWSA-N
XLogP1.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.97
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'}

Analyze (2R)-2-pentyloxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-pentyloxirane?
The IUPAC name of (2R)-2-pentyloxirane (CID 11147691) is (2R)-2-pentyloxirane.
What is the SMILES notation for (2R)-2-pentyloxirane?
The canonical SMILES for (2R)-2-pentyloxirane is CCCCC[C@@H]1CO1.
What is the InChIKey of (2R)-2-pentyloxirane?
The InChIKey is NMOFYYYCFRVWBK-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14O/c1-2-3-4-5-7-6-8-7/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-pentyloxirane?
(2R)-2-pentyloxirane has a molecular weight of 114.19 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pentyloxirane is sourced from PubChem (CID 11147691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).