12-octoxydodecyl 2-methylprop-2-enoate

C24H46O3 — CID 139797904

IUPAC12-octoxydodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCOCCCCCCCC
InChIInChI=1S/C24H46O3/c1-4-5-6-7-14-17-20-26-21-18-15-12-10-8-9-11-13-16-19-22-27-24(25)23(2)3/h2,4-22H2,1,3H3
InChIKeyCUVXVPOCZGAGFD-UHFFFAOYSA-N
MW382.63 g/mol
LogP7.38
Rot. Bonds21

About 12-octoxydodecyl 2-methylprop-2-enoate

12-octoxydodecyl 2-methylprop-2-enoate (PubChem CID 139797904) has the molecular formula C24H46O3 and a molecular weight of 382.63 g/mol. Its IUPAC name is 12-octoxydodecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name12-octoxydodecyl 2-methylprop-2-enoate
PubChem CID139797904
Molecular FormulaC24H46O3
Molecular Weight382.63 g/mol
Exact Mass382.34
IUPAC Name12-octoxydodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCOCCCCCCCC
InChIInChI=1S/C24H46O3/c1-4-5-6-7-14-17-20-26-21-18-15-12-10-8-9-11-13-16-19-22-27-24(25)23(2)3/h2,4-22H2,1,3H3
InChIKeyCUVXVPOCZGAGFD-UHFFFAOYSA-N
XLogP7.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 57.38
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

5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940
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 12-octoxydodecyl 2-methylprop-2-enoate?
The IUPAC name of 12-octoxydodecyl 2-methylprop-2-enoate (CID 139797904) is 12-octoxydodecyl 2-methylprop-2-enoate.
What is the SMILES notation for 12-octoxydodecyl 2-methylprop-2-enoate?
The canonical SMILES for 12-octoxydodecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCCCOCCCCCCCC.
What is the InChIKey of 12-octoxydodecyl 2-methylprop-2-enoate?
The InChIKey is CUVXVPOCZGAGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O3/c1-4-5-6-7-14-17-20-26-21-18-15-12-10-8-9-11-13-16-19-22-27-24(25)23(2)3/h2,4-22H2,1,3H3.
What are the key properties of 12-octoxydodecyl 2-methylprop-2-enoate?
12-octoxydodecyl 2-methylprop-2-enoate has a molecular weight of 382.63 g/mol, XLogP of 7.38, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-octoxydodecyl 2-methylprop-2-enoate is sourced from PubChem (CID 139797904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).