methane;nonyl 2-methylprop-2-enoate

C14H28O2 — CID 174847930

IUPACmethane;nonyl 2-methylprop-2-enoate
SMILESC.C=C(C)C(=O)OCCCCCCCCC
InChIInChI=1S/C13H24O2.CH4/c1-4-5-6-7-8-9-10-11-15-13(14)12(2)3;/h2,4-11H2,1,3H3;1H4
InChIKeyKDAXTLACSQSXRS-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.49
Rot. Bonds9

About methane;nonyl 2-methylprop-2-enoate

methane;nonyl 2-methylprop-2-enoate (PubChem CID 174847930) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is methane;nonyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namemethane;nonyl 2-methylprop-2-enoate
PubChem CID174847930
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Namemethane;nonyl 2-methylprop-2-enoate
SMILESC.C=C(C)C(=O)OCCCCCCCCC
InChIInChI=1S/C13H24O2.CH4/c1-4-5-6-7-8-9-10-11-15-13(14)12(2)3;/h2,4-11H2,1,3H3;1H4
InChIKeyKDAXTLACSQSXRS-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.49
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;tridecyl 2-methylprop-2-enoate
CID 174863529
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;nonyl 2-methylprop-2-enoate?
The IUPAC name of methane;nonyl 2-methylprop-2-enoate (CID 174847930) is methane;nonyl 2-methylprop-2-enoate.
What is the SMILES notation for methane;nonyl 2-methylprop-2-enoate?
The canonical SMILES for methane;nonyl 2-methylprop-2-enoate is C.C=C(C)C(=O)OCCCCCCCCC.
What is the InChIKey of methane;nonyl 2-methylprop-2-enoate?
The InChIKey is KDAXTLACSQSXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2.CH4/c1-4-5-6-7-8-9-10-11-15-13(14)12(2)3;/h2,4-11H2,1,3H3;1H4.
What are the key properties of methane;nonyl 2-methylprop-2-enoate?
methane;nonyl 2-methylprop-2-enoate has a molecular weight of 228.38 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;nonyl 2-methylprop-2-enoate is sourced from PubChem (CID 174847930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).