nonyl 2-methylpent-4-enoate

C15H28O2 — CID 91695095

IUPACnonyl 2-methylpent-4-enoate
SMILESC=CCC(C)C(=O)OCCCCCCCCC
InChIInChI=1S/C15H28O2/c1-4-6-7-8-9-10-11-13-17-15(16)14(3)12-5-2/h5,14H,2,4,6-13H2,1,3H3
InChIKeySUIJFENYPSLILQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.49
Rot. Bonds11

About nonyl 2-methylpent-4-enoate

nonyl 2-methylpent-4-enoate (PubChem CID 91695095) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is nonyl 2-methylpent-4-enoate.

Molecular Properties

Compound Namenonyl 2-methylpent-4-enoate
PubChem CID91695095
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namenonyl 2-methylpent-4-enoate
SMILESC=CCC(C)C(=O)OCCCCCCCCC
InChIInChI=1S/C15H28O2/c1-4-6-7-8-9-10-11-13-17-15(16)14(3)12-5-2/h5,14H,2,4,6-13H2,1,3H3
InChIKeySUIJFENYPSLILQ-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

pentyl 2-(hexoxycarbonylamino)pent-4-enoate
CID 91691970
pentyl 2-(octoxycarbonylamino)pent-4-enoate
CID 91736081
heptadecyl 2-(butoxycarbonylamino)pent-4-enoate
CID 91725443
pentadecyl 2-(butoxycarbonylamino)pent-4-enoate
CID 91725441
heptyl 2-(methoxycarbonylamino)pent-4-enoate
CID 91713240
hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate
CID 91721396
heptadecyl 2-(2-methoxyethoxycarbonylamino)pent-4-enoate
CID 91725950
pentadecyl 2-(2-methoxyethoxycarbonylamino)pent-4-enoate
CID 91725948
hexyl 2-methyldodecanoate
CID 174392697
dodecyl 2-methyltetradecanoate
CID 88541423
dodecyl 2-methylhexanoate
CID 20682052
decyl 2-methylhexanoate
CID 86220664

Frequently Asked Questions

What is the IUPAC name of nonyl 2-methylpent-4-enoate?
The IUPAC name of nonyl 2-methylpent-4-enoate (CID 91695095) is nonyl 2-methylpent-4-enoate.
What is the SMILES notation for nonyl 2-methylpent-4-enoate?
The canonical SMILES for nonyl 2-methylpent-4-enoate is C=CCC(C)C(=O)OCCCCCCCCC.
What is the InChIKey of nonyl 2-methylpent-4-enoate?
The InChIKey is SUIJFENYPSLILQ-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/h5,14H,2,4,6-13H2,1,3H3.
What are the key properties of nonyl 2-methylpent-4-enoate?
nonyl 2-methylpent-4-enoate has a molecular weight of 240.39 g/mol, XLogP of 4.49, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-methylpent-4-enoate is sourced from PubChem (CID 91695095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).