pent-4-enyl 2-iodo-2-methylpropanoate

C9H15IO2 — CID 11129735

IUPACpent-4-enyl 2-iodo-2-methylpropanoate
SMILESC=CCCCOC(=O)C(C)(C)I
InChIInChI=1S/C9H15IO2/c1-4-5-6-7-12-8(11)9(2,3)10/h4H,1,5-7H2,2-3H3
InChIKeyCYCUVURCJVMGDV-UHFFFAOYSA-N
MW282.12 g/mol
LogP2.71
Rot. Bonds5

About pent-4-enyl 2-iodo-2-methylpropanoate

pent-4-enyl 2-iodo-2-methylpropanoate (PubChem CID 11129735) has the molecular formula C9H15IO2 and a molecular weight of 282.12 g/mol. Its IUPAC name is pent-4-enyl 2-iodo-2-methylpropanoate.

Molecular Properties

Compound Namepent-4-enyl 2-iodo-2-methylpropanoate
PubChem CID11129735
Molecular FormulaC9H15IO2
Molecular Weight282.12 g/mol
Exact Mass282.01
IUPAC Namepent-4-enyl 2-iodo-2-methylpropanoate
SMILESC=CCCCOC(=O)C(C)(C)I
InChIInChI=1S/C9H15IO2/c1-4-5-6-7-12-8(11)9(2,3)10/h4H,1,5-7H2,2-3H3
InChIKeyCYCUVURCJVMGDV-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

undec-10-enyl 2-bromo-2-methylpropanoate
CID 23113089
butyl 2-iodo-2-methylpropanoate
CID 87865989
hex-5-enyl 2-bromo-2-methylbutanoate
CID 141237616
but-3-enyl 2-hydroxy-2-methylpropanoate
CID 18413295
pent-4-enyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-methoxy-2-methylpropanoate
CID 146636468
hex-5-enyl acetate
CID 537536
pent-4-enyl pent-4-enoate
CID 86018729
ethyl hex-5-enyl carbonate
CID 45140691
6-trimethoxysilylhexyl 2-iodo-2-methylpropanoate
CID 58280983
pentadec-14-enyl acetate
CID 87443745
nonadec-18-enyl acetate
CID 87443633
(Z)-4-oxo-4-pent-4-enoxybut-2-enoic acid
CID 141049132

Frequently Asked Questions

What is the IUPAC name of pent-4-enyl 2-iodo-2-methylpropanoate?
The IUPAC name of pent-4-enyl 2-iodo-2-methylpropanoate (CID 11129735) is pent-4-enyl 2-iodo-2-methylpropanoate.
What is the SMILES notation for pent-4-enyl 2-iodo-2-methylpropanoate?
The canonical SMILES for pent-4-enyl 2-iodo-2-methylpropanoate is C=CCCCOC(=O)C(C)(C)I.
What is the InChIKey of pent-4-enyl 2-iodo-2-methylpropanoate?
The InChIKey is CYCUVURCJVMGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IO2/c1-4-5-6-7-12-8(11)9(2,3)10/h4H,1,5-7H2,2-3H3.
What are the key properties of pent-4-enyl 2-iodo-2-methylpropanoate?
pent-4-enyl 2-iodo-2-methylpropanoate has a molecular weight of 282.12 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-enyl 2-iodo-2-methylpropanoate is sourced from PubChem (CID 11129735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).