tetracen-5-ylmethyl 2-methylprop-2-enoate

C23H18O2 — CID 59584223

IUPACtetracen-5-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1c2ccccc2cc2cc3ccccc3cc12
InChIInChI=1S/C23H18O2/c1-15(2)23(24)25-14-22-20-10-6-5-9-18(20)12-19-11-16-7-3-4-8-17(16)13-21(19)22/h3-13H,1,14H2,2H3
InChIKeyYQPYSKOKHZJNCH-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.77
Rot. Bonds3

About tetracen-5-ylmethyl 2-methylprop-2-enoate

tetracen-5-ylmethyl 2-methylprop-2-enoate (PubChem CID 59584223) has the molecular formula C23H18O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is tetracen-5-ylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nametetracen-5-ylmethyl 2-methylprop-2-enoate
PubChem CID59584223
Molecular FormulaC23H18O2
Molecular Weight326.40 g/mol
Exact Mass326.13
IUPAC Nametetracen-5-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1c2ccccc2cc2cc3ccccc3cc12
InChIInChI=1S/C23H18O2/c1-15(2)23(24)25-14-22-20-10-6-5-9-18(20)12-19-11-16-7-3-4-8-17(16)13-21(19)22/h3-13H,1,14H2,2H3
InChIKeyYQPYSKOKHZJNCH-UHFFFAOYSA-N
XLogP5.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

anthracen-9-ylmethyl acetate
CID 27876
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245
10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid
CID 129174154
(10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate
CID 71414129
(2-anthracen-9-yl-2-oxoethyl) 2-methylprop-2-enoate
CID 158316032
(2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate
CID 177106308
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796
(6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate
CID 126550127
3-anthracen-1-ylpropyl 2-methylprop-2-enoate
CID 164705675
anthracen-9-ylmethyl N-methylcarbamate
CID 90378707
anthracen-9-ylmethyl 2-bromo-2-methylpropanoate
CID 71362067
anthracen-9-ylmethyl anthracene-9-carboxylate
CID 59653644

Frequently Asked Questions

What is the IUPAC name of tetracen-5-ylmethyl 2-methylprop-2-enoate?
The IUPAC name of tetracen-5-ylmethyl 2-methylprop-2-enoate (CID 59584223) is tetracen-5-ylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for tetracen-5-ylmethyl 2-methylprop-2-enoate?
The canonical SMILES for tetracen-5-ylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1c2ccccc2cc2cc3ccccc3cc12.
What is the InChIKey of tetracen-5-ylmethyl 2-methylprop-2-enoate?
The InChIKey is YQPYSKOKHZJNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2/c1-15(2)23(24)25-14-22-20-10-6-5-9-18(20)12-19-11-16-7-3-4-8-17(16)13-21(19)22/h3-13H,1,14H2,2H3.
What are the key properties of tetracen-5-ylmethyl 2-methylprop-2-enoate?
tetracen-5-ylmethyl 2-methylprop-2-enoate has a molecular weight of 326.40 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracen-5-ylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 59584223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).