3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate

C21H30O8 — CID 162239045

IUPAC3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
SMILESC=CC(=O)OCCC(C)OC(=O)C=C.C=CC(=O)OCCCCCOC(=O)C=C
InChIInChI=1S/C11H16O4.C10H14O4/c1-3-10(12)14-8-6-5-7-9-15-11(13)4-2;1-4-9(11)13-7-6-8(3)14-10(12)5-2/h3-4H,1-2,5-9H2;4-5,8H,1-2,6-7H2,3H3
InChIKeyZWLLPRUGNLMFNO-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.84
Rot. Bonds14

About 3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate

3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate (PubChem CID 162239045) has the molecular formula C21H30O8 and a molecular weight of 410.46 g/mol. Its IUPAC name is 3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate.

Molecular Properties

Compound Name3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
PubChem CID162239045
Molecular FormulaC21H30O8
Molecular Weight410.46 g/mol
Exact Mass410.19
IUPAC Name3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
SMILESC=CC(=O)OCCC(C)OC(=O)C=C.C=CC(=O)OCCCCCOC(=O)C=C
InChIInChI=1S/C11H16O4.C10H14O4/c1-3-10(12)14-8-6-5-7-9-15-11(13)4-2;1-4-9(11)13-7-6-8(3)14-10(12)5-2/h3-4H,1-2,5-9H2;4-5,8H,1-2,6-7H2,3H3
InChIKeyZWLLPRUGNLMFNO-UHFFFAOYSA-N
XLogP2.84
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.84
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

3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-prop-2-enoyloxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 102116747
hexanedioic acid;3-prop-2-enoyloxybutyl prop-2-enoate
CID 157302822
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate
CID 175298158
6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate
CID 175274876
6-prop-2-enoyloxydodecyl prop-2-enoate
CID 151920559
6-methylheptyl prop-2-enoate;prop-2-enamide
CID 6452299
(6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate
CID 141014379
(6-methyl-5-propan-2-ylheptyl) prop-2-enoate
CID 162450476

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate?
The IUPAC name of 3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate (CID 162239045) is 3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate.
What is the SMILES notation for 3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate?
The canonical SMILES for 3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate is C=CC(=O)OCCC(C)OC(=O)C=C.C=CC(=O)OCCCCCOC(=O)C=C.
What is the InChIKey of 3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate?
The InChIKey is ZWLLPRUGNLMFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4.C10H14O4/c1-3-10(12)14-8-6-5-7-9-15-11(13)4-2;1-4-9(11)13-7-6-8(3)14-10(12)5-2/h3-4H,1-2,5-9H2;4-5,8H,1-2,6-7H2,3H3.
What are the key properties of 3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate?
3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate has a molecular weight of 410.46 g/mol, XLogP of 2.84, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate is sourced from PubChem (CID 162239045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).