6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate

C20H26O5 — CID 59608803

IUPAC6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C20H26O5/c1-16(2)20(22)25-15-7-5-4-6-14-24-19(21)13-10-17-8-11-18(23-3)12-9-17/h8-13H,1,4-7,14-15H2,2-3H3/b13-10+
InChIKeyRPLNJBNZOYMIIV-JLHYYAGUSA-N
MW346.42 g/mol
LogP3.93
Rot. Bonds11

About 6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate

6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate (PubChem CID 59608803) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is 6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate
PubChem CID59608803
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C20H26O5/c1-16(2)20(22)25-15-7-5-4-6-14-24-19(21)13-10-17-8-11-18(23-3)12-9-17/h8-13H,1,4-7,14-15H2,2-3H3/b13-10+
InChIKeyRPLNJBNZOYMIIV-JLHYYAGUSA-N
XLogP3.93
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

6-[4-[4-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxybutoxy]phenyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 170647391
6-[4-[(E)-3-(4-methoxyphenoxy)-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 100959401
6-[4-(3-hexadecoxy-3-oxoprop-1-enyl)phenoxy]hexyl 2-methylprop-2-enoate
CID 67323709
6-[4-(3-oxo-3-pentoxyprop-1-enyl)phenoxy]hexyl 2-methylprop-2-enoate
CID 67323026
7-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxyheptyl 2-methylprop-2-enoate
CID 69118218
undec-10-enyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 100917126
2-[(E)-3-(4-tetradecoxyphenyl)prop-2-enoyl]oxyethyl 2-methylprop-2-enoate
CID 153307176
2-[(E)-3-(4-dodecoxyphenyl)prop-2-enoyl]oxyethyl 2-methylprop-2-enoate
CID 12637024
3-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxypropyl 2-methylprop-2-enoate
CID 70289530
butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003
6-[4-[4-[9-[(E)-3-phenylprop-2-enoyl]oxynonoxy]phenyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 101433036
6-[4-[4-[8-[(E)-3-phenylprop-2-enoyl]oxyoctoxy]phenyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 101433035

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate?
The IUPAC name of 6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate (CID 59608803) is 6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCOC(=O)/C=C/c1ccc(OC)cc1.
What is the InChIKey of 6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate?
The InChIKey is RPLNJBNZOYMIIV-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H26O5/c1-16(2)20(22)25-15-7-5-4-6-14-24-19(21)13-10-17-8-11-18(23-3)12-9-17/h8-13H,1,4-7,14-15H2,2-3H3/b13-10+.
What are the key properties of 6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate?
6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate has a molecular weight of 346.42 g/mol, XLogP of 3.93, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate is sourced from PubChem (CID 59608803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).