2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate

C19H38O7 — CID 175496640

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCC.COC(O)COCCOCCO
InChIInChI=1S/C12H22O2.C7H16O5/c1-3-5-6-7-8-9-10-11-14-12(13)4-2;1-10-7(9)6-12-5-4-11-3-2-8/h4H,2-3,5-11H2,1H3;7-9H,2-6H2,1H3
InChIKeyWLJZEJKENNIXMS-UHFFFAOYSA-N
MW378.51 g/mol
LogP2.44
Rot. Bonds17

About 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate

2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate (PubChem CID 175496640) has the molecular formula C19H38O7 and a molecular weight of 378.51 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate
PubChem CID175496640
Molecular FormulaC19H38O7
Molecular Weight378.51 g/mol
Exact Mass378.26
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCC.COC(O)COCCOCCO
InChIInChI=1S/C12H22O2.C7H16O5/c1-3-5-6-7-8-9-10-11-14-12(13)4-2;1-10-7(9)6-12-5-4-11-3-2-8/h4H,2-3,5-11H2,1H3;7-9H,2-6H2,1H3
InChIKeyWLJZEJKENNIXMS-UHFFFAOYSA-N
XLogP2.44
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate 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

decyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol
CID 175496624
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid
CID 87255416
5-hexoxypentyl prop-2-enoate
CID 141336215
ethane-1,2-diol;hexyl prop-2-enoate
CID 87769837
1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl prop-2-enoate
CID 158731688
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 11083788
decan-1-ol;decyl prop-2-enoate
CID 158001479
2-docosoxyethyl prop-2-enoate
CID 87118947
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate (CID 175496640) is 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate is C=CC(=O)OCCCCCCCCC.COC(O)COCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate?
The InChIKey is WLJZEJKENNIXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2.C7H16O5/c1-3-5-6-7-8-9-10-11-14-12(13)4-2;1-10-7(9)6-12-5-4-11-3-2-8/h4H,2-3,5-11H2,1H3;7-9H,2-6H2,1H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate?
2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate has a molecular weight of 378.51 g/mol, XLogP of 2.44, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate is sourced from PubChem (CID 175496640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).