1-(3-ethyloxiran-2-yl)propan-1-ol;1-(3-methyloxiran-2-yl)butan-1-ol

C14H28O4 — CID 159186027

IUPAC1-(3-ethyloxiran-2-yl)propan-1-ol;1-(3-methyloxiran-2-yl)butan-1-ol
SMILESCCC(O)C1OC1CC.CCCC(O)C1OC1C
InChIInChI=1S/2C7H14O2/c1-3-4-6(8)7-5(2)9-7;1-3-5(8)7-6(4-2)9-7/h2*5-8H,3-4H2,1-2H3
InChIKeyKNMODPIBQXLCKE-UHFFFAOYSA-N
MW260.37 g/mol
LogP1.87
Rot. Bonds6

About 1-(3-ethyloxiran-2-yl)propan-1-ol;1-(3-methyloxiran-2-yl)butan-1-ol

1-(3-ethyloxiran-2-yl)propan-1-ol;1-(3-methyloxiran-2-yl)butan-1-ol (PubChem CID 159186027) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 1-(3-ethyloxiran-2-yl)propan-1-ol;1-(3-methyloxiran-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(3-ethyloxiran-2-yl)propan-1-ol;1-(3-methyloxiran-2-yl)butan-1-ol
PubChem CID159186027
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name1-(3-ethyloxiran-2-yl)propan-1-ol;1-(3-methyloxiran-2-yl)butan-1-ol
SMILESCCC(O)C1OC1CC.CCCC(O)C1OC1C
InChIInChI=1S/2C7H14O2/c1-3-4-6(8)7-5(2)9-7;1-3-5(8)7-6(4-2)9-7/h2*5-8H,3-4H2,1-2H3
InChIKeyKNMODPIBQXLCKE-UHFFFAOYSA-N
XLogP1.87
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-(3-ethyloxiran-2-yl)propan-1-ol;1-(3-methyloxiran-2-yl)butan-1-ol 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 1-(3-ethyloxiran-2-yl)propan-1-ol;1-(3-methyloxiran-2-yl)butan-1-ol?
The IUPAC name of 1-(3-ethyloxiran-2-yl)propan-1-ol;1-(3-methyloxiran-2-yl)butan-1-ol (CID 159186027) is 1-(3-ethyloxiran-2-yl)propan-1-ol;1-(3-methyloxiran-2-yl)butan-1-ol.
What is the SMILES notation for 1-(3-ethyloxiran-2-yl)propan-1-ol;1-(3-methyloxiran-2-yl)butan-1-ol?
The canonical SMILES for 1-(3-ethyloxiran-2-yl)propan-1-ol;1-(3-methyloxiran-2-yl)butan-1-ol is CCC(O)C1OC1CC.CCCC(O)C1OC1C.
What is the InChIKey of 1-(3-ethyloxiran-2-yl)propan-1-ol;1-(3-methyloxiran-2-yl)butan-1-ol?
The InChIKey is KNMODPIBQXLCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14O2/c1-3-4-6(8)7-5(2)9-7;1-3-5(8)7-6(4-2)9-7/h2*5-8H,3-4H2,1-2H3.
What are the key properties of 1-(3-ethyloxiran-2-yl)propan-1-ol;1-(3-methyloxiran-2-yl)butan-1-ol?
1-(3-ethyloxiran-2-yl)propan-1-ol;1-(3-methyloxiran-2-yl)butan-1-ol has a molecular weight of 260.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyloxiran-2-yl)propan-1-ol;1-(3-methyloxiran-2-yl)butan-1-ol is sourced from PubChem (CID 159186027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).