methane;tridecyl 2-methylprop-2-enoate

C18H36O2 — CID 174863529

IUPACmethane;tridecyl 2-methylprop-2-enoate
SMILESC.C=C(C)C(=O)OCCCCCCCCCCCCC
InChIInChI=1S/C17H32O2.CH4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3;/h2,4-15H2,1,3H3;1H4
InChIKeyQOMITOCUTUFGJX-UHFFFAOYSA-N
MW284.48 g/mol
LogP6.05
Rot. Bonds13

About methane;tridecyl 2-methylprop-2-enoate

methane;tridecyl 2-methylprop-2-enoate (PubChem CID 174863529) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is methane;tridecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namemethane;tridecyl 2-methylprop-2-enoate
PubChem CID174863529
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Namemethane;tridecyl 2-methylprop-2-enoate
SMILESC.C=C(C)C(=O)OCCCCCCCCCCCCC
InChIInChI=1S/C17H32O2.CH4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3;/h2,4-15H2,1,3H3;1H4
InChIKeyQOMITOCUTUFGJX-UHFFFAOYSA-N
XLogP6.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

methane;nonyl 2-methylprop-2-enoate
CID 174847930
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
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
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
butyl 2-methylprop-2-enoate;methane
CID 159646333

Frequently Asked Questions

What is the IUPAC name of methane;tridecyl 2-methylprop-2-enoate?
The IUPAC name of methane;tridecyl 2-methylprop-2-enoate (CID 174863529) is methane;tridecyl 2-methylprop-2-enoate.
What is the SMILES notation for methane;tridecyl 2-methylprop-2-enoate?
The canonical SMILES for methane;tridecyl 2-methylprop-2-enoate is C.C=C(C)C(=O)OCCCCCCCCCCCCC.
What is the InChIKey of methane;tridecyl 2-methylprop-2-enoate?
The InChIKey is QOMITOCUTUFGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2.CH4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3;/h2,4-15H2,1,3H3;1H4.
What are the key properties of methane;tridecyl 2-methylprop-2-enoate?
methane;tridecyl 2-methylprop-2-enoate has a molecular weight of 284.48 g/mol, XLogP of 6.05, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tridecyl 2-methylprop-2-enoate is sourced from PubChem (CID 174863529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).