5-methoxypentyl 2-iodoprop-2-enoate

C9H15IO3 — CID 118370027

IUPAC5-methoxypentyl 2-iodoprop-2-enoate
SMILESC=C(I)C(=O)OCCCCCOC
InChIInChI=1S/C9H15IO3/c1-8(10)9(11)13-7-5-3-4-6-12-2/h1,3-7H2,2H3
InChIKeyAVMXISFLYKKJLP-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.30
Rot. Bonds7

About 5-methoxypentyl 2-iodoprop-2-enoate

5-methoxypentyl 2-iodoprop-2-enoate (PubChem CID 118370027) has the molecular formula C9H15IO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is 5-methoxypentyl 2-iodoprop-2-enoate.

Molecular Properties

Compound Name5-methoxypentyl 2-iodoprop-2-enoate
PubChem CID118370027
Molecular FormulaC9H15IO3
Molecular Weight298.12 g/mol
Exact Mass298.01
IUPAC Name5-methoxypentyl 2-iodoprop-2-enoate
SMILESC=C(I)C(=O)OCCCCCOC
InChIInChI=1S/C9H15IO3/c1-8(10)9(11)13-7-5-3-4-6-12-2/h1,3-7H2,2H3
InChIKeyAVMXISFLYKKJLP-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
3-methoxypropyl 2-hydroxyprop-2-enoate
CID 21271092
butyl 2-methylprop-2-enoate;1-methoxydodecane
CID 90869404
6-methoxyhexyl 8-methoxyoctyl carbonate
CID 131971124
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate
CID 91693764
hexyl 2-(2-methoxyethoxymethyl)prop-2-enoate
CID 102229803
6-methoxyhexyl 2-methylpropanoate
CID 135199835
methyl 7-methoxy-2-methylideneheptanoate
CID 20669689
methane;4-methoxybutyl acetate
CID 160669604
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
dioctyl 2,3-dimethylidenebutanedioate
CID 140613144

Frequently Asked Questions

What is the IUPAC name of 5-methoxypentyl 2-iodoprop-2-enoate?
The IUPAC name of 5-methoxypentyl 2-iodoprop-2-enoate (CID 118370027) is 5-methoxypentyl 2-iodoprop-2-enoate.
What is the SMILES notation for 5-methoxypentyl 2-iodoprop-2-enoate?
The canonical SMILES for 5-methoxypentyl 2-iodoprop-2-enoate is C=C(I)C(=O)OCCCCCOC.
What is the InChIKey of 5-methoxypentyl 2-iodoprop-2-enoate?
The InChIKey is AVMXISFLYKKJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IO3/c1-8(10)9(11)13-7-5-3-4-6-12-2/h1,3-7H2,2H3.
What are the key properties of 5-methoxypentyl 2-iodoprop-2-enoate?
5-methoxypentyl 2-iodoprop-2-enoate has a molecular weight of 298.12 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypentyl 2-iodoprop-2-enoate is sourced from PubChem (CID 118370027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).