2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane

C23H42O4 — CID 87383190

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
SMILESC=C(C)C(=O)OCCOC(=O)C(=C)C.CCCCCCCCCCCCC
InChIInChI=1S/C13H28.C10H14O4/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-7(2)9(11)13-5-6-14-10(12)8(3)4/h3-13H2,1-2H3;1,3,5-6H2,2,4H3
InChIKeyUVZRSRMVIJGQLX-UHFFFAOYSA-N
MW382.59 g/mol
LogP6.54
Rot. Bonds15

About 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane

2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane (PubChem CID 87383190) has the molecular formula C23H42O4 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
PubChem CID87383190
Molecular FormulaC23H42O4
Molecular Weight382.59 g/mol
Exact Mass382.31
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
SMILESC=C(C)C(=O)OCCOC(=O)C(=C)C.CCCCCCCCCCCCC
InChIInChI=1S/C13H28.C10H14O4/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-7(2)9(11)13-5-6-14-10(12)8(3)4/h3-13H2,1-2H3;1,3,5-6H2,2,4H3
InChIKeyUVZRSRMVIJGQLX-UHFFFAOYSA-N
XLogP6.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 56.54
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

octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
methane;nonyl 2-methylprop-2-enoate
CID 174847930
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
2-(2-methylprop-2-enoyloxy)ethyl docosanoate
CID 135130314
2-hept-1-en-2-yloxyethyl 2-methylprop-2-enoate
CID 169002157
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane (CID 87383190) is 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane is C=C(C)C(=O)OCCOC(=O)C(=C)C.CCCCCCCCCCCCC.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane?
The InChIKey is UVZRSRMVIJGQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28.C10H14O4/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-7(2)9(11)13-5-6-14-10(12)8(3)4/h3-13H2,1-2H3;1,3,5-6H2,2,4H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane?
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane has a molecular weight of 382.59 g/mol, XLogP of 6.54, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane is sourced from PubChem (CID 87383190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).