[6-oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-propanoyloxyhexanoate

C20H32O8 — CID 58351979

IUPAC[6-oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-propanoyloxyhexanoate
SMILESC=CC(=O)OCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CC
InChIInChI=1S/C20H32O8/c1-3-17(21)25-13-9-5-7-11-19(23)26-14-10-6-8-12-20(24)28-16-15-27-18(22)4-2/h4H,2-3,5-16H2,1H3
InChIKeyUJUKYXFIGVVZDN-UHFFFAOYSA-N
MW400.47 g/mol
LogP2.88
Rot. Bonds17

About [6-oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-propanoyloxyhexanoate

[6-oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-propanoyloxyhexanoate (PubChem CID 58351979) has the molecular formula C20H32O8 and a molecular weight of 400.47 g/mol. Its IUPAC name is [6-oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-propanoyloxyhexanoate.

Molecular Properties

Compound Name[6-oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-propanoyloxyhexanoate
PubChem CID58351979
Molecular FormulaC20H32O8
Molecular Weight400.47 g/mol
Exact Mass400.21
IUPAC Name[6-oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-propanoyloxyhexanoate
SMILESC=CC(=O)OCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CC
InChIInChI=1S/C20H32O8/c1-3-17(21)25-13-9-5-7-11-19(23)26-14-10-6-8-12-20(24)28-16-15-27-18(22)4-2/h4H,2-3,5-16H2,1H3
InChIKeyUJUKYXFIGVVZDN-UHFFFAOYSA-N
XLogP2.88
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 52.88
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'}

Analyze [6-oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-propanoyloxyhexanoate with MolForge

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Related Compounds

Hydroxypivalyl hydroxypivalate bis[6-(acryloyloxy)hexanoate]
CID 3507014
Diethoxylated hexanediol diacrylate
CID 59793344
Butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;6-hydroxyhexanoic acid;methyl 2-methylprop-2-enoate
CID 44148158
Bis{2-[(2-methylacryloyl)oxy]ethyl} hexanedioate
CID 14880668
Methyl 6-(acryloyloxy)hexanoate
CID 15936995
Bis[2-(acryloyloxy)ethyl] hexanedioate
CID 53896682
Oxydi(ethane-2,1-diyl) bis{6-[(prop-2-enoyl)oxy]hexanoate}
CID 58807582
[3-(6-Prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate
CID 59823963
Butyl prop-2-enoate;oxepan-2-one
CID 66771653
[3-[6-(6-Prop-2-enoyloxyhexanoyloxy)hexanoyloxy]-2-[[3-[6-(6-prop-2-enoyloxyhexanoyloxy)hexanoyloxy]-2,2-bis[6-(6-prop-2-enoyloxyhexanoyloxy)hexanoyloxymethyl]propoxy]methyl]-2-[6-(6-prop-2-enoyloxyhexanoyloxy)hexanoyloxymethyl]propyl] 6-(6-prop-2-enoyloxyhexanoyloxy)hexanoate
CID 102105797
Dipropylene glycol caprylate acrylate
CID 132234056
[6-Oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-hydroxyhexanoate
CID 4438228

Frequently Asked Questions

What is the IUPAC name of [6-oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-propanoyloxyhexanoate?
The IUPAC name of [6-oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-propanoyloxyhexanoate (CID 58351979) is [6-oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-propanoyloxyhexanoate.
What is the SMILES notation for [6-oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-propanoyloxyhexanoate?
The canonical SMILES for [6-oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-propanoyloxyhexanoate is C=CC(=O)OCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CC.
What is the InChIKey of [6-oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-propanoyloxyhexanoate?
The InChIKey is UJUKYXFIGVVZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O8/c1-3-17(21)25-13-9-5-7-11-19(23)26-14-10-6-8-12-20(24)28-16-15-27-18(22)4-2/h4H,2-3,5-16H2,1H3.
What are the key properties of [6-oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-propanoyloxyhexanoate?
[6-oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-propanoyloxyhexanoate has a molecular weight of 400.47 g/mol, XLogP of 2.88, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-oxo-6-(2-prop-2-enoyloxyethoxy)hexyl] 6-propanoyloxyhexanoate is sourced from PubChem (CID 58351979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).