dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate

C23H42O4 — CID 87150170

IUPACdodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.C=C(C)C(=O)OCCCCCCCCCCCC
InChIInChI=1S/C16H30O2.C7H12O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-4-5-9-7(8)6(2)3/h2,4-14H2,1,3H3;2,4-5H2,1,3H3
InChIKeyXGCWMVRYIQAMQU-UHFFFAOYSA-N
MW382.59 g/mol
LogP6.54
Rot. Bonds15

About dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate

dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate (PubChem CID 87150170) has the molecular formula C23H42O4 and a molecular weight of 382.59 g/mol. Its IUPAC name is dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namedodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
PubChem CID87150170
Molecular FormulaC23H42O4
Molecular Weight382.59 g/mol
Exact Mass382.31
IUPAC Namedodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.C=C(C)C(=O)OCCCCCCCCCCCC
InChIInChI=1S/C16H30O2.C7H12O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-4-5-9-7(8)6(2)3/h2,4-14H2,1,3H3;2,4-5H2,1,3H3
InChIKeyXGCWMVRYIQAMQU-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
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 18508448
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate?
The IUPAC name of dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate (CID 87150170) is dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate.
What is the SMILES notation for dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate?
The canonical SMILES for dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC.C=C(C)C(=O)OCCCCCCCCCCCC.
What is the InChIKey of dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate?
The InChIKey is XGCWMVRYIQAMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2.C7H12O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-4-5-9-7(8)6(2)3/h2,4-14H2,1,3H3;2,4-5H2,1,3H3.
What are the key properties of dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate?
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate 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 dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate is sourced from PubChem (CID 87150170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).