2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate

C19H32O8 — CID 140791658

IUPAC2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(C)OCCCCCOC(C)OCCOC(=O)C=C
InChIInChI=1S/C19H32O8/c1-5-18(20)26-14-12-24-16(3)22-10-8-7-9-11-23-17(4)25-13-15-27-19(21)6-2/h5-6,16-17H,1-2,7-15H2,3-4H3
InChIKeyXGMHJQGBBLYWPN-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.37
Rot. Bonds18

About 2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate

2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate (PubChem CID 140791658) has the molecular formula C19H32O8 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate
PubChem CID140791658
Molecular FormulaC19H32O8
Molecular Weight388.46 g/mol
Exact Mass388.21
IUPAC Name2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(C)OCCCCCOC(C)OCCOC(=O)C=C
InChIInChI=1S/C19H32O8/c1-5-18(20)26-14-12-24-16(3)22-10-8-7-9-11-23-17(4)25-13-15-27-19(21)6-2/h5-6,16-17H,1-2,7-15H2,3-4H3
InChIKeyXGMHJQGBBLYWPN-UHFFFAOYSA-N
XLogP2.37
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.37
H-Bond Donors ≤ 50
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

4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004
2-methylidene-4-[1-(2-prop-2-enoyloxyethoxy)ethoxy]butanoic acid
CID 175196518
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-[1-[4-hydroxy-3,3-bis(hydroxymethyl)butan-2-yl]oxyethoxy]ethyl prop-2-enoate
CID 175045459
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
4-(1-cyanoethoxy)butyl prop-2-enoate
CID 141064228
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
decyl prop-2-enoate
CID 162172023
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate (CID 140791658) is 2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOC(C)OCCCCCOC(C)OCCOC(=O)C=C.
What is the InChIKey of 2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate?
The InChIKey is XGMHJQGBBLYWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O8/c1-5-18(20)26-14-12-24-16(3)22-10-8-7-9-11-23-17(4)25-13-15-27-19(21)6-2/h5-6,16-17H,1-2,7-15H2,3-4H3.
What are the key properties of 2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate?
2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate has a molecular weight of 388.46 g/mol, XLogP of 2.37, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 140791658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).