dodecyl prop-2-enoate;2-(4-nonylphenoxy)ethyl prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate;2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl prop-2-enoate

C63H92O11 — CID 167590150

IUPACdodecyl prop-2-enoate;2-(4-nonylphenoxy)ethyl prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate;2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCC1CCCO1.C=CC(=O)OCCCCCCCCCCCC.C=CC(=O)OCCOc1ccc(C(C)(C)c2ccccc2)cc1.C=CC(=O)OCCOc1ccc(CCCCCCCCC)cc1
InChIInChI=1S/C20H22O3.C20H30O3.C15H28O2.C8H12O3/c1-4-19(21)23-15-14-22-18-12-10-17(11-13-18)20(2,3)16-8-6-5-7-9-16;1-3-5-6-7-8-9-10-11-18-12-14-19(15-13-18)22-16-17-23-20(21)4-2;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2;1-2-8(9)11-6-7-4-3-5-10-7/h4-13H,1,14-15H2,2-3H3;4,12-15H,2-3,5-11,16-17H2,1H3;4H,2-3,5-14H2,1H3;2,7H,1,3-6H2
InChIKeyIIDSZTFNPIYAFT-UHFFFAOYSA-N
MW1025.42 g/mol
LogP14.74
Rot. Bonds35

About dodecyl prop-2-enoate;2-(4-nonylphenoxy)ethyl prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate;2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl prop-2-enoate

dodecyl prop-2-enoate;2-(4-nonylphenoxy)ethyl prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate;2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl prop-2-enoate (PubChem CID 167590150) has the molecular formula C63H92O11 and a molecular weight of 1025.42 g/mol. Its IUPAC name is dodecyl prop-2-enoate;2-(4-nonylphenoxy)ethyl prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate;2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Namedodecyl prop-2-enoate;2-(4-nonylphenoxy)ethyl prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate;2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl prop-2-enoate
PubChem CID167590150
Molecular FormulaC63H92O11
Molecular Weight1025.42 g/mol
Exact Mass1024.66
IUPAC Namedodecyl prop-2-enoate;2-(4-nonylphenoxy)ethyl prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate;2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCC1CCCO1.C=CC(=O)OCCCCCCCCCCCC.C=CC(=O)OCCOc1ccc(C(C)(C)c2ccccc2)cc1.C=CC(=O)OCCOc1ccc(CCCCCCCCC)cc1
InChIInChI=1S/C20H22O3.C20H30O3.C15H28O2.C8H12O3/c1-4-19(21)23-15-14-22-18-12-10-17(11-13-18)20(2,3)16-8-6-5-7-9-16;1-3-5-6-7-8-9-10-11-18-12-14-19(15-13-18)22-16-17-23-20(21)4-2;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2;1-2-8(9)11-6-7-4-3-5-10-7/h4-13H,1,14-15H2,2-3H3;4,12-15H,2-3,5-11,16-17H2,1H3;4H,2-3,5-14H2,1H3;2,7H,1,3-6H2
InChIKeyIIDSZTFNPIYAFT-UHFFFAOYSA-N
XLogP14.74
TPSA132.89 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds35
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001025.42
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

11-[4-(2-phenylpropan-2-yl)phenoxy]undecyl prop-2-enoate
CID 164916146
4-[4-(2-phenylpropan-2-yl)phenoxy]butyl prop-2-enoate
CID 175070741
2-[2-[2-[2-[2-[2-[2-(4-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 100992588
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-octylbenzoate
CID 118216311
1-O-(4-hexylphenyl) 4-O-[4-(6-prop-2-enoyloxyhexyl)phenyl] cyclohexane-1,4-dicarboxylate
CID 59386500
3-[3-[4-[2-[4-[3-(3-prop-2-enoyloxypropoxy)propoxy]phenyl]propan-2-yl]phenoxy]propoxy]propyl prop-2-enoate
CID 57128581
bis(ethyl prop-2-enoate);2-[2-[4-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;tricyclo[5.2.1.02,6]decane
CID 161390810
2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 151210127
2-[3-[4-[2-[4-[3-(2-prop-2-enoyloxyethoxy)propoxy]phenyl]propan-2-yl]phenoxy]propoxy]ethyl prop-2-enoate
CID 158911579
6-[4-[5-[4-(4-pentylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]hexyl prop-2-enoate
CID 87610857
2-O-(oxolan-2-ylmethyl) 1-O-tetradecyl benzene-1,2-dicarboxylate
CID 6421095
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-pentoxybenzoate
CID 17201582

Frequently Asked Questions

What is the IUPAC name of dodecyl prop-2-enoate;2-(4-nonylphenoxy)ethyl prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate;2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl prop-2-enoate?
The IUPAC name of dodecyl prop-2-enoate;2-(4-nonylphenoxy)ethyl prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate;2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl prop-2-enoate (CID 167590150) is dodecyl prop-2-enoate;2-(4-nonylphenoxy)ethyl prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate;2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for dodecyl prop-2-enoate;2-(4-nonylphenoxy)ethyl prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate;2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl prop-2-enoate?
The canonical SMILES for dodecyl prop-2-enoate;2-(4-nonylphenoxy)ethyl prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate;2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl prop-2-enoate is C=CC(=O)OCC1CCCO1.C=CC(=O)OCCCCCCCCCCCC.C=CC(=O)OCCOc1ccc(C(C)(C)c2ccccc2)cc1.C=CC(=O)OCCOc1ccc(CCCCCCCCC)cc1.
What is the InChIKey of dodecyl prop-2-enoate;2-(4-nonylphenoxy)ethyl prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate;2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl prop-2-enoate?
The InChIKey is IIDSZTFNPIYAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3.C20H30O3.C15H28O2.C8H12O3/c1-4-19(21)23-15-14-22-18-12-10-17(11-13-18)20(2,3)16-8-6-5-7-9-16;1-3-5-6-7-8-9-10-11-18-12-14-19(15-13-18)22-16-17-23-20(21)4-2;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2;1-2-8(9)11-6-7-4-3-5-10-7/h4-13H,1,14-15H2,2-3H3;4,12-15H,2-3,5-11,16-17H2,1H3;4H,2-3,5-14H2,1H3;2,7H,1,3-6H2.
What are the key properties of dodecyl prop-2-enoate;2-(4-nonylphenoxy)ethyl prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate;2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl prop-2-enoate?
dodecyl prop-2-enoate;2-(4-nonylphenoxy)ethyl prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate;2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl prop-2-enoate has a molecular weight of 1025.42 g/mol, XLogP of 14.74, 35 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl prop-2-enoate;2-(4-nonylphenoxy)ethyl prop-2-enoate;oxolan-2-ylmethyl prop-2-enoate;2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 167590150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).