ethane;2-methyl-3-[2-(oxiran-2-yl)ethyl]-4,5,6-tris(oxiran-2-ylmethyl)phenol

C22H32O5 — CID 18459576

IUPACethane;2-methyl-3-[2-(oxiran-2-yl)ethyl]-4,5,6-tris(oxiran-2-ylmethyl)phenol
SMILESCC.Cc1c(O)c(CC2CO2)c(CC2CO2)c(CC2CO2)c1CCC1CO1
InChIInChI=1S/C20H26O5.C2H6/c1-11-16(3-2-12-7-22-12)17(4-13-8-23-13)18(5-14-9-24-14)19(20(11)21)6-15-10-25-15;1-2/h12-15,21H,2-10H2,1H3;1-2H3
InChIKeyRYUGVBWOFLRZMO-UHFFFAOYSA-N
MW376.49 g/mol
LogP2.88
Rot. Bonds9

About ethane;2-methyl-3-[2-(oxiran-2-yl)ethyl]-4,5,6-tris(oxiran-2-ylmethyl)phenol

ethane;2-methyl-3-[2-(oxiran-2-yl)ethyl]-4,5,6-tris(oxiran-2-ylmethyl)phenol (PubChem CID 18459576) has the molecular formula C22H32O5 and a molecular weight of 376.49 g/mol. Its IUPAC name is ethane;2-methyl-3-[2-(oxiran-2-yl)ethyl]-4,5,6-tris(oxiran-2-ylmethyl)phenol.

Molecular Properties

Compound Nameethane;2-methyl-3-[2-(oxiran-2-yl)ethyl]-4,5,6-tris(oxiran-2-ylmethyl)phenol
PubChem CID18459576
Molecular FormulaC22H32O5
Molecular Weight376.49 g/mol
Exact Mass376.22
IUPAC Nameethane;2-methyl-3-[2-(oxiran-2-yl)ethyl]-4,5,6-tris(oxiran-2-ylmethyl)phenol
SMILESCC.Cc1c(O)c(CC2CO2)c(CC2CO2)c(CC2CO2)c1CCC1CO1
InChIInChI=1S/C20H26O5.C2H6/c1-11-16(3-2-12-7-22-12)17(4-13-8-23-13)18(5-14-9-24-14)19(20(11)21)6-15-10-25-15;1-2/h12-15,21H,2-10H2,1H3;1-2H3
InChIKeyRYUGVBWOFLRZMO-UHFFFAOYSA-N
XLogP2.88
TPSA70.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;2-methyl-3-[2-(oxiran-2-yl)ethyl]-4,5,6-tris(oxiran-2-ylmethyl)phenol 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 ethane;2-methyl-3-[2-(oxiran-2-yl)ethyl]-4,5,6-tris(oxiran-2-ylmethyl)phenol?
The IUPAC name of ethane;2-methyl-3-[2-(oxiran-2-yl)ethyl]-4,5,6-tris(oxiran-2-ylmethyl)phenol (CID 18459576) is ethane;2-methyl-3-[2-(oxiran-2-yl)ethyl]-4,5,6-tris(oxiran-2-ylmethyl)phenol.
What is the SMILES notation for ethane;2-methyl-3-[2-(oxiran-2-yl)ethyl]-4,5,6-tris(oxiran-2-ylmethyl)phenol?
The canonical SMILES for ethane;2-methyl-3-[2-(oxiran-2-yl)ethyl]-4,5,6-tris(oxiran-2-ylmethyl)phenol is CC.Cc1c(O)c(CC2CO2)c(CC2CO2)c(CC2CO2)c1CCC1CO1.
What is the InChIKey of ethane;2-methyl-3-[2-(oxiran-2-yl)ethyl]-4,5,6-tris(oxiran-2-ylmethyl)phenol?
The InChIKey is RYUGVBWOFLRZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5.C2H6/c1-11-16(3-2-12-7-22-12)17(4-13-8-23-13)18(5-14-9-24-14)19(20(11)21)6-15-10-25-15;1-2/h12-15,21H,2-10H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-3-[2-(oxiran-2-yl)ethyl]-4,5,6-tris(oxiran-2-ylmethyl)phenol?
ethane;2-methyl-3-[2-(oxiran-2-yl)ethyl]-4,5,6-tris(oxiran-2-ylmethyl)phenol has a molecular weight of 376.49 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3-[2-(oxiran-2-yl)ethyl]-4,5,6-tris(oxiran-2-ylmethyl)phenol is sourced from PubChem (CID 18459576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).