4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate

C22H32O8 — CID 158256375

IUPAC4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOC(=O)C=C.C=CC(=O)OCCCCOC(=O)C=C
InChIInChI=1S/C12H18O4.C10H14O4/c1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2;1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-10H2;3-4H,1-2,5-8H2
InChIKeyGHIKEEAWQAMIFA-UHFFFAOYSA-N
MW424.49 g/mol
LogP3.23
Rot. Bonds16

About 4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate

4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate (PubChem CID 158256375) has the molecular formula C22H32O8 and a molecular weight of 424.49 g/mol. Its IUPAC name is 4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate.

Molecular Properties

Compound Name4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
PubChem CID158256375
Molecular FormulaC22H32O8
Molecular Weight424.49 g/mol
Exact Mass424.21
IUPAC Name4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOC(=O)C=C.C=CC(=O)OCCCCOC(=O)C=C
InChIInChI=1S/C12H18O4.C10H14O4/c1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2;1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-10H2;3-4H,1-2,5-8H2
InChIKeyGHIKEEAWQAMIFA-UHFFFAOYSA-N
XLogP3.23
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
11-hydroxyundecyl prop-2-enoate
CID 54223498
10-hydroxydecyl prop-2-enoate
CID 14715958
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
[(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate
CID 101145209
11-fluoroundecyl prop-2-enoate
CID 88673047
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate?
The IUPAC name of 4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate (CID 158256375) is 4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate.
What is the SMILES notation for 4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate?
The canonical SMILES for 4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate is C=CC(=O)OCCCCCCOC(=O)C=C.C=CC(=O)OCCCCOC(=O)C=C.
What is the InChIKey of 4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate?
The InChIKey is GHIKEEAWQAMIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4.C10H14O4/c1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2;1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-10H2;3-4H,1-2,5-8H2.
What are the key properties of 4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate?
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate has a molecular weight of 424.49 g/mol, XLogP of 3.23, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate is sourced from PubChem (CID 158256375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).