10-pentoxydecyl 2-methylprop-2-enoate

C19H36O3 — CID 139797940

IUPAC10-pentoxydecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCOCCCCC
InChIInChI=1S/C19H36O3/c1-4-5-12-15-21-16-13-10-8-6-7-9-11-14-17-22-19(20)18(2)3/h2,4-17H2,1,3H3
InChIKeyHJKGCKFIFUGVKO-UHFFFAOYSA-N
MW312.49 g/mol
LogP5.43
Rot. Bonds16

About 10-pentoxydecyl 2-methylprop-2-enoate

10-pentoxydecyl 2-methylprop-2-enoate (PubChem CID 139797940) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is 10-pentoxydecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name10-pentoxydecyl 2-methylprop-2-enoate
PubChem CID139797940
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name10-pentoxydecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCOCCCCC
InChIInChI=1S/C19H36O3/c1-4-5-12-15-21-16-13-10-8-6-7-9-11-14-17-22-19(20)18(2)3/h2,4-17H2,1,3H3
InChIKeyHJKGCKFIFUGVKO-UHFFFAOYSA-N
XLogP5.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.49
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
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
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026
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
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150

Frequently Asked Questions

What is the IUPAC name of 10-pentoxydecyl 2-methylprop-2-enoate?
The IUPAC name of 10-pentoxydecyl 2-methylprop-2-enoate (CID 139797940) is 10-pentoxydecyl 2-methylprop-2-enoate.
What is the SMILES notation for 10-pentoxydecyl 2-methylprop-2-enoate?
The canonical SMILES for 10-pentoxydecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCOCCCCC.
What is the InChIKey of 10-pentoxydecyl 2-methylprop-2-enoate?
The InChIKey is HJKGCKFIFUGVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3/c1-4-5-12-15-21-16-13-10-8-6-7-9-11-14-17-22-19(20)18(2)3/h2,4-17H2,1,3H3.
What are the key properties of 10-pentoxydecyl 2-methylprop-2-enoate?
10-pentoxydecyl 2-methylprop-2-enoate has a molecular weight of 312.49 g/mol, XLogP of 5.43, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-pentoxydecyl 2-methylprop-2-enoate is sourced from PubChem (CID 139797940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).