[4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate

C15H25IO2 — CID 88975949

IUPAC[4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CC(CI)C(C)(C)C1(C)C
InChIInChI=1S/C15H25IO2/c1-10(2)12(17)18-15(7)8-11(9-16)13(3,4)14(15,5)6/h11H,1,8-9H2,2-7H3
InChIKeyMJJIVDXODOAEIA-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.37
Rot. Bonds3

About [4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate

[4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate (PubChem CID 88975949) has the molecular formula C15H25IO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is [4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate
PubChem CID88975949
Molecular FormulaC15H25IO2
Molecular Weight364.27 g/mol
Exact Mass364.09
IUPAC Name[4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CC(CI)C(C)(C)C1(C)C
InChIInChI=1S/C15H25IO2/c1-10(2)12(17)18-15(7)8-11(9-16)13(3,4)14(15,5)6/h11H,1,8-9H2,2-7H3
InChIKeyMJJIVDXODOAEIA-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,2-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 20820775
(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate
CID 164546927
(5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate
CID 163450308
(3-hydroxy-3-methylcyclobutyl)methyl 2-methylprop-2-enoate
CID 156781576
[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 141031450
ethyl 2-methylprop-2-enoate
CID 130475774
[2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 141396871
1-tricyclo[3.2.1.03,6]octanyl 2-methylprop-2-enoate
CID 139921218
[2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 141141914
adamantane;ethyl 2-methylprop-2-enoate
CID 175529705
(1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate
CID 122533297
[2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140557479

Frequently Asked Questions

What is the IUPAC name of [4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate (CID 88975949) is [4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)CC(CI)C(C)(C)C1(C)C.
What is the InChIKey of [4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate?
The InChIKey is MJJIVDXODOAEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25IO2/c1-10(2)12(17)18-15(7)8-11(9-16)13(3,4)14(15,5)6/h11H,1,8-9H2,2-7H3.
What are the key properties of [4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate?
[4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate has a molecular weight of 364.27 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 88975949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).