nonyl 2-methylidenepentanoate

C15H28O2 — CID 90751965

IUPACnonyl 2-methylidenepentanoate
SMILESC=C(CCC)C(=O)OCCCCCCCCC
InChIInChI=1S/C15H28O2/c1-4-6-7-8-9-10-11-13-17-15(16)14(3)12-5-2/h3-13H2,1-2H3
InChIKeyBLEAKMINQIUDIF-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.64
Rot. Bonds11

About nonyl 2-methylidenepentanoate

nonyl 2-methylidenepentanoate (PubChem CID 90751965) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is nonyl 2-methylidenepentanoate.

Molecular Properties

Compound Namenonyl 2-methylidenepentanoate
PubChem CID90751965
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namenonyl 2-methylidenepentanoate
SMILESC=C(CCC)C(=O)OCCCCCCCCC
InChIInChI=1S/C15H28O2/c1-4-6-7-8-9-10-11-13-17-15(16)14(3)12-5-2/h3-13H2,1-2H3
InChIKeyBLEAKMINQIUDIF-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.64
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

nonyl 2-methylideneundecanoate
CID 142441213
heptyl 2-methylideneundecanoate
CID 176549260
octadecyl 2-methylideneicosanoate
CID 57219526
dodecyl 4-hydroxy-2-methylidenebutanoate
CID 161475812
butyl 2-methylideneoctanoate
CID 23364330
hexyl 2-methylidenebutanoate;2-methylprop-1-ene
CID 88842326
pentyl 2-(hydroxymethyl)prop-2-enoate
CID 54519324
6-hydroxyhexyl 2-methylidenepentadecanoate
CID 87107597
nonyl 2-methylidenedodecanoate;prop-2-enoic acid
CID 135390219
pentyl 5-methyl-2-methylidenehexanoate
CID 175083218
butyl 2-methylidenedecanoate;nitrous acid
CID 174807118
butyl 2-methylidenepentanoate;propan-2-yl 2-methylidenepentanoate
CID 134518483

Frequently Asked Questions

What is the IUPAC name of nonyl 2-methylidenepentanoate?
The IUPAC name of nonyl 2-methylidenepentanoate (CID 90751965) is nonyl 2-methylidenepentanoate.
What is the SMILES notation for nonyl 2-methylidenepentanoate?
The canonical SMILES for nonyl 2-methylidenepentanoate is C=C(CCC)C(=O)OCCCCCCCCC.
What is the InChIKey of nonyl 2-methylidenepentanoate?
The InChIKey is BLEAKMINQIUDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-6-7-8-9-10-11-13-17-15(16)14(3)12-5-2/h3-13H2,1-2H3.
What are the key properties of nonyl 2-methylidenepentanoate?
nonyl 2-methylidenepentanoate has a molecular weight of 240.39 g/mol, XLogP of 4.64, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-methylidenepentanoate is sourced from PubChem (CID 90751965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).