2-(oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol

C17H34O5 — CID 18794986

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol
SMILESC(OCC1CO1)C1CO1.CCCC(CO)CC(CO)C(C)C
InChIInChI=1S/C11H24O2.C6H10O3/c1-4-5-10(7-12)6-11(8-13)9(2)3;1(5-3-8-5)7-2-6-4-9-6/h9-13H,4-8H2,1-3H3;5-6H,1-4H2
InChIKeyWTKNREFNRDQZER-UHFFFAOYSA-N
MW318.45 g/mol
LogP1.85
Rot. Bonds11

About 2-(oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol

2-(oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol (PubChem CID 18794986) has the molecular formula C17H34O5 and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol
PubChem CID18794986
Molecular FormulaC17H34O5
Molecular Weight318.45 g/mol
Exact Mass318.24
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol
SMILESC(OCC1CO1)C1CO1.CCCC(CO)CC(CO)C(C)C
InChIInChI=1S/C11H24O2.C6H10O3/c1-4-5-10(7-12)6-11(8-13)9(2)3;1(5-3-8-5)7-2-6-4-9-6/h9-13H,4-8H2,1-3H3;5-6H,1-4H2
InChIKeyWTKNREFNRDQZER-UHFFFAOYSA-N
XLogP1.85
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol 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 2-(oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol (CID 18794986) is 2-(oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol is C(OCC1CO1)C1CO1.CCCC(CO)CC(CO)C(C)C.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol?
The InChIKey is WTKNREFNRDQZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2.C6H10O3/c1-4-5-10(7-12)6-11(8-13)9(2)3;1(5-3-8-5)7-2-6-4-9-6/h9-13H,4-8H2,1-3H3;5-6H,1-4H2.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol?
2-(oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol has a molecular weight of 318.45 g/mol, XLogP of 1.85, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;2-propan-2-yl-4-propylpentane-1,5-diol is sourced from PubChem (CID 18794986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).