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

C22H44O8 — CID 175496624

IUPACdecyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol
SMILESC=CC(=O)OCCCCCCCCCC.COC(O)COCCOCCOCCO
InChIInChI=1S/C13H24O2.C9H20O6/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-12-9(11)8-15-7-6-14-5-4-13-3-2-10/h4H,2-3,5-12H2,1H3;9-11H,2-8H2,1H3
InChIKeyXUWRRVWDMFLRJI-UHFFFAOYSA-N
MW436.59 g/mol
LogP2.85
Rot. Bonds21

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

decyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol (PubChem CID 175496624) has the molecular formula C22H44O8 and a molecular weight of 436.59 g/mol. Its IUPAC name is decyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol.

Molecular Properties

Compound Namedecyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol
PubChem CID175496624
Molecular FormulaC22H44O8
Molecular Weight436.59 g/mol
Exact Mass436.30
IUPAC Namedecyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol
SMILESC=CC(=O)OCCCCCCCCCC.COC(O)COCCOCCOCCO
InChIInChI=1S/C13H24O2.C9H20O6/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-12-9(11)8-15-7-6-14-5-4-13-3-2-10/h4H,2-3,5-12H2,1H3;9-11H,2-8H2,1H3
InChIKeyXUWRRVWDMFLRJI-UHFFFAOYSA-N
XLogP2.85
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate
CID 175496640
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 decyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol?
The IUPAC name of decyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol (CID 175496624) is decyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol.
What is the SMILES notation for decyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol?
The canonical SMILES for decyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol is C=CC(=O)OCCCCCCCCCC.COC(O)COCCOCCOCCO.
What is the InChIKey of decyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol?
The InChIKey is XUWRRVWDMFLRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2.C9H20O6/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-12-9(11)8-15-7-6-14-5-4-13-3-2-10/h4H,2-3,5-12H2,1H3;9-11H,2-8H2,1H3.
What are the key properties of decyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol?
decyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol has a molecular weight of 436.59 g/mol, XLogP of 2.85, 21 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for decyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol is sourced from PubChem (CID 175496624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).