nonyl 2-methylnon-2-enoate

C19H36O2 — CID 175301846

IUPACnonyl 2-methylnon-2-enoate
SMILESCCCCCCC=C(C)C(=O)OCCCCCCCCC
InChIInChI=1S/C19H36O2/c1-4-6-8-10-11-13-15-17-21-19(20)18(3)16-14-12-9-7-5-2/h16H,4-15,17H2,1-3H3
InChIKeyCIFOOTPQIWIHFP-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.20
Rot. Bonds14

About nonyl 2-methylnon-2-enoate

nonyl 2-methylnon-2-enoate (PubChem CID 175301846) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is nonyl 2-methylnon-2-enoate.

Molecular Properties

Compound Namenonyl 2-methylnon-2-enoate
PubChem CID175301846
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Namenonyl 2-methylnon-2-enoate
SMILESCCCCCCC=C(C)C(=O)OCCCCCCCCC
InChIInChI=1S/C19H36O2/c1-4-6-8-10-11-13-15-17-21-19(20)18(3)16-14-12-9-7-5-2/h16H,4-15,17H2,1-3H3
InChIKeyCIFOOTPQIWIHFP-UHFFFAOYSA-N
XLogP6.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.20
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

heptyl 2-methylhexadec-2-enoate
CID 174820936
dodecyl 2-methylhenicos-2-enoate
CID 57172953
heptyl 2-methylundec-2-enoate
CID 174231744
icosyl 2-methyltricos-2-enoate
CID 90881383
propyl 2-methyltridec-2-enoate
CID 174821186
2-(2-methylprop-2-enoyloxy)ethyl 2-methylheptadec-2-enoate
CID 175232139
octadecyl 2-methyl-5-(2-methylprop-2-enoyloxy)pent-2-enoate
CID 57086036
propyl (E)-2-methylhept-2-enoate
CID 13122849
butyl 2-methylundec-2-enoate;methyl prop-2-enoate
CID 174897680
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
undecyl (E)-2-methylbut-2-enoate
CID 91701896
heptyl 2-methylprop-2-enoate;2-methyldec-2-enoic acid
CID 159623260

Frequently Asked Questions

What is the IUPAC name of nonyl 2-methylnon-2-enoate?
The IUPAC name of nonyl 2-methylnon-2-enoate (CID 175301846) is nonyl 2-methylnon-2-enoate.
What is the SMILES notation for nonyl 2-methylnon-2-enoate?
The canonical SMILES for nonyl 2-methylnon-2-enoate is CCCCCCC=C(C)C(=O)OCCCCCCCCC.
What is the InChIKey of nonyl 2-methylnon-2-enoate?
The InChIKey is CIFOOTPQIWIHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-4-6-8-10-11-13-15-17-21-19(20)18(3)16-14-12-9-7-5-2/h16H,4-15,17H2,1-3H3.
What are the key properties of nonyl 2-methylnon-2-enoate?
nonyl 2-methylnon-2-enoate has a molecular weight of 296.50 g/mol, XLogP of 6.20, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-methylnon-2-enoate is sourced from PubChem (CID 175301846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).