[4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate

C20H24O4 — CID 70229754

IUPAC[4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(C=Cc1ccccc1)OC(=O)C(=C)C
InChIInChI=1S/C20H24O4/c1-15(2)19(21)23-14-8-11-18(24-20(22)16(3)4)13-12-17-9-6-5-7-10-17/h5-7,9-10,12-13,18H,1,3,8,11,14H2,2,4H3
InChIKeyHLJLMQOPIWYXQY-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.09
Rot. Bonds9

About [4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate

[4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate (PubChem CID 70229754) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is [4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate
PubChem CID70229754
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name[4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(C=Cc1ccccc1)OC(=O)C(=C)C
InChIInChI=1S/C20H24O4/c1-15(2)19(21)23-14-8-11-18(24-20(22)16(3)4)13-12-17-9-6-5-7-10-17/h5-7,9-10,12-13,18H,1,3,8,11,14H2,2,4H3
InChIKeyHLJLMQOPIWYXQY-UHFFFAOYSA-N
XLogP4.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
CID 175194257
(2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
CID 54174138
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate
CID 174480451
(4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate
CID 68791034
[1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate
CID 57228939
[(E)-4,4-dimethyl-1-phenylpent-1-en-3-yl] 2-methylprop-2-enoate
CID 167189015
2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate
CID 102298814
octadecyl 2-methylprop-2-enoate;4-phenylbut-3-enoic acid
CID 174890269
dodecyl 2-methylprop-2-enoate;4-phenylbut-3-enoic acid
CID 174889777
3-(2-methylprop-2-enoyloxy)propyl-triphenylphosphanium bromide
CID 175823134
butyl 2-methylidene-4-phenylbut-3-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 88665483
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate
CID 70124649

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate (CID 70229754) is [4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC(C=Cc1ccccc1)OC(=O)C(=C)C.
What is the InChIKey of [4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate?
The InChIKey is HLJLMQOPIWYXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-15(2)19(21)23-14-8-11-18(24-20(22)16(3)4)13-12-17-9-6-5-7-10-17/h5-7,9-10,12-13,18H,1,3,8,11,14H2,2,4H3.
What are the key properties of [4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate?
[4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate has a molecular weight of 328.41 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate is sourced from PubChem (CID 70229754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).