hexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate

C98H140O33 — CID 158811969

IUPAChexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate
SMILESC=CC(=O)CCCCCCCCCCC(=O)C=C.C=CC(=O)CCCOCCOCCCC(=O)C=C.C=CC(=O)COCCOCC(=O)C=C.C=CC(=O)OCCCCCCCCOC(=O)C=C.C=CC(=O)OCCCCOC(=O)C=C.C=CC(=O)OCCOCCOC(=O)C=C.C=CC(=O)OCCOCCOCCOC(=O)C=C.C=CC(=O)Oc1ccc(OC(=O)C=C)cc1
InChIInChI=1S/C16H26O2.2C14H22O4.C12H18O6.C12H10O4.C10H14O5.2C10H14O4/c1-3-15(17)13-11-9-7-5-6-8-10-12-14-16(18)4-2;1-3-13(15)7-5-9-17-11-12-18-10-6-8-14(16)4-2;1-3-13(15)17-11-9-7-5-6-8-10-12-18-14(16)4-2;1-3-11(13)17-9-7-15-5-6-16-8-10-18-12(14)4-2;1-3-11(13)15-9-5-7-10(8-6-9)16-12(14)4-2;1-3-9(11)14-7-5-13-6-8-15-10(12)4-2;1-3-9(11)7-13-5-6-14-8-10(12)4-2;1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-14H2;2*3-4H,1-2,5-12H2;3-4H,1-2,5-10H2;3-8H,1-2H2;3-4H,1-2,5-8H2;2*3-4H,1-2,5-8H2
InChIKeyIUUNPMJRHRVLCV-UHFFFAOYSA-N
MW1846.16 g/mol
LogP13.84
Rot. Bonds76

About hexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate

hexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate (PubChem CID 158811969) has the molecular formula C98H140O33 and a molecular weight of 1846.16 g/mol. Its IUPAC name is hexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate.

Molecular Properties

Compound Namehexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate
PubChem CID158811969
Molecular FormulaC98H140O33
Molecular Weight1846.16 g/mol
Exact Mass1844.93
IUPAC Namehexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate
SMILESC=CC(=O)CCCCCCCCCCC(=O)C=C.C=CC(=O)CCCOCCOCCCC(=O)C=C.C=CC(=O)COCCOCC(=O)C=C.C=CC(=O)OCCCCCCCCOC(=O)C=C.C=CC(=O)OCCCCOC(=O)C=C.C=CC(=O)OCCOCCOC(=O)C=C.C=CC(=O)OCCOCCOCCOC(=O)C=C.C=CC(=O)Oc1ccc(OC(=O)C=C)cc1
InChIInChI=1S/C16H26O2.2C14H22O4.C12H18O6.C12H10O4.C10H14O5.2C10H14O4/c1-3-15(17)13-11-9-7-5-6-8-10-12-14-16(18)4-2;1-3-13(15)7-5-9-17-11-12-18-10-6-8-14(16)4-2;1-3-13(15)17-11-9-7-5-6-8-10-12-18-14(16)4-2;1-3-11(13)17-9-7-15-5-6-16-8-10-18-12(14)4-2;1-3-11(13)15-9-5-7-10(8-6-9)16-12(14)4-2;1-3-9(11)14-7-5-13-6-8-15-10(12)4-2;1-3-9(11)7-13-5-6-14-8-10(12)4-2;1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-14H2;2*3-4H,1-2,5-12H2;3-4H,1-2,5-10H2;3-8H,1-2H2;3-4H,1-2,5-8H2;2*3-4H,1-2,5-8H2
InChIKeyIUUNPMJRHRVLCV-UHFFFAOYSA-N
XLogP13.84
TPSA430.03 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds76
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001846.16
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze hexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

[4-[4-(7-oxonon-8-enoxy)phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 118528788
[4-[4-[4-(6-prop-2-enoyloxyhexoxycarbonyloxy)benzoyl]oxybenzoyl]oxyphenyl] 4-[4-(8-oxodec-9-enoxycarbonyloxy)benzoyl]oxybenzoate
CID 59998576
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
6-(2-oxobut-3-enoxy)hex-1-en-3-one
CID 147998253
(4-methylphenyl) 7-prop-2-enoyloxyheptanoate
CID 21049752
6-[4-[[4-[2-[4-(10-oxododec-11-enoxy)phenyl]ethenyl]phenyl]diazenyl]phenoxy]hexyl prop-2-enoate
CID 140930643
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
2-[4-[4-(4-prop-2-enoyloxybenzoyl)oxyphenoxy]carbonylphenoxy]ethyl 4-(9-prop-2-enoyloxynonoxy)benzoate
CID 59181148
methyl 4-[4-(6-oxooct-7-enoxycarbonyloxy)benzoyl]oxybenzoate
CID 58612781
[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 20789540
[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 10165717
[4-(6-prop-2-enoyloxyhexoxy)phenyl] 6-oxohexanoate
CID 121441027

Frequently Asked Questions

What is the IUPAC name of hexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate?
The IUPAC name of hexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate (CID 158811969) is hexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate.
What is the SMILES notation for hexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate?
The canonical SMILES for hexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate is C=CC(=O)CCCCCCCCCCC(=O)C=C.C=CC(=O)CCCOCCOCCCC(=O)C=C.C=CC(=O)COCCOCC(=O)C=C.C=CC(=O)OCCCCCCCCOC(=O)C=C.C=CC(=O)OCCCCOC(=O)C=C.C=CC(=O)OCCOCCOC(=O)C=C.C=CC(=O)OCCOCCOCCOC(=O)C=C.C=CC(=O)Oc1ccc(OC(=O)C=C)cc1.
What is the InChIKey of hexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate?
The InChIKey is IUUNPMJRHRVLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2.2C14H22O4.C12H18O6.C12H10O4.C10H14O5.2C10H14O4/c1-3-15(17)13-11-9-7-5-6-8-10-12-14-16(18)4-2;1-3-13(15)7-5-9-17-11-12-18-10-6-8-14(16)4-2;1-3-13(15)17-11-9-7-5-6-8-10-12-18-14(16)4-2;1-3-11(13)17-9-7-15-5-6-16-8-10-18-12(14)4-2;1-3-11(13)15-9-5-7-10(8-6-9)16-12(14)4-2;1-3-9(11)14-7-5-13-6-8-15-10(12)4-2;1-3-9(11)7-13-5-6-14-8-10(12)4-2;1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-14H2;2*3-4H,1-2,5-12H2;3-4H,1-2,5-10H2;3-8H,1-2H2;3-4H,1-2,5-8H2;2*3-4H,1-2,5-8H2.
What are the key properties of hexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate?
hexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate has a molecular weight of 1846.16 g/mol, XLogP of 13.84, 76 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate is sourced from PubChem (CID 158811969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).