ethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane

C23H40O6 — CID 88792258

IUPACethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCCCCCCCCc1ccccc1O.OCCO
InChIInChI=1S/C15H24O.C6H10O3.C2H6O2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;1(5-3-8-5)7-2-6-4-9-6;3-1-2-4/h9-10,12-13,16H,2-8,11H2,1H3;5-6H,1-4H2;3-4H,1-2H2
InChIKeyYASYJJHMVKHKSY-UHFFFAOYSA-N
MW412.57 g/mol
LogP3.46
Rot. Bonds13

About ethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane

ethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 88792258) has the molecular formula C23H40O6 and a molecular weight of 412.57 g/mol. Its IUPAC name is ethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Nameethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID88792258
Molecular FormulaC23H40O6
Molecular Weight412.57 g/mol
Exact Mass412.28
IUPAC Nameethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCCCCCCCCc1ccccc1O.OCCO
InChIInChI=1S/C15H24O.C6H10O3.C2H6O2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;1(5-3-8-5)7-2-6-4-9-6;3-1-2-4/h9-10,12-13,16H,2-8,11H2,1H3;5-6H,1-4H2;3-4H,1-2H2
InChIKeyYASYJJHMVKHKSY-UHFFFAOYSA-N
XLogP3.46
TPSA94.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane with MolForge

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

Launch Full Analysis

Related Compounds

1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88512513
2-nonylphenol;pentan-1-ol
CID 70367302
2-dodecylphenol
CID 160834917
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-nonylphenol
CID 158816755
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-nonylphenol
CID 157250181
ethoxyethane;2-octylphenol
CID 66605620
hexane;hexane-1,6-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174849924
CID 69025009
CID 69025009
2-octylphenol;tungsten
CID 157237523
CID 158595082
CID 158595082
2-(oxiran-2-ylmethoxymethyl)oxirane;3-pentadecylphenol
CID 88787409
ethene;2-nonylphenol
CID 66616289

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of ethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 88792258) is ethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for ethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for ethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.CCCCCCCCCc1ccccc1O.OCCO.
What is the InChIKey of ethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is YASYJJHMVKHKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C6H10O3.C2H6O2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;1(5-3-8-5)7-2-6-4-9-6;3-1-2-4/h9-10,12-13,16H,2-8,11H2,1H3;5-6H,1-4H2;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
ethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 412.57 g/mol, XLogP of 3.46, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 88792258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).