cyclopropyl 2-iodo-2,5-dimethyl-1,3-dioxolane-4-carboxylate

C9H13IO4 — CID 163925190

IUPACcyclopropyl 2-iodo-2,5-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1OC(C)(I)OC1C(=O)OC1CC1
InChIInChI=1S/C9H13IO4/c1-5-7(14-9(2,10)13-5)8(11)12-6-3-4-6/h5-7H,3-4H2,1-2H3
InChIKeyRDVZGVCDDCXVPF-UHFFFAOYSA-N
MW312.10 g/mol
LogP1.60
Rot. Bonds2

About cyclopropyl 2-iodo-2,5-dimethyl-1,3-dioxolane-4-carboxylate

cyclopropyl 2-iodo-2,5-dimethyl-1,3-dioxolane-4-carboxylate (PubChem CID 163925190) has the molecular formula C9H13IO4 and a molecular weight of 312.10 g/mol. Its IUPAC name is cyclopropyl 2-iodo-2,5-dimethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namecyclopropyl 2-iodo-2,5-dimethyl-1,3-dioxolane-4-carboxylate
PubChem CID163925190
Molecular FormulaC9H13IO4
Molecular Weight312.10 g/mol
Exact Mass311.99
IUPAC Namecyclopropyl 2-iodo-2,5-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1OC(C)(I)OC1C(=O)OC1CC1
InChIInChI=1S/C9H13IO4/c1-5-7(14-9(2,10)13-5)8(11)12-6-3-4-6/h5-7H,3-4H2,1-2H3
InChIKeyRDVZGVCDDCXVPF-UHFFFAOYSA-N
XLogP1.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.10
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl cyclopropanecarboxylate
CID 54407874
[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
CID 20730861
cyclopropyl oxane-4-carboxylate
CID 23131614
[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 140895326
(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
CID 58650724
[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
CID 118132173
2,3,4-trimethyloxolane-2,5-dicarboperoxoic acid
CID 138744383
2-(4,4-dimethylcyclohexyl)oxycarbonyl-5-methylcyclohexane-1-carboxylic acid
CID 139821225
6-(4,4-dimethylcyclohexyl)oxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 139821220
(4-methylcyclohexyl) 4-aminooxolane-3-carboxylate
CID 66239919
(4-methylcyclohexyl) 4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexane-1-carboxylate
CID 59938787
(4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate
CID 118583460

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 2-iodo-2,5-dimethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of cyclopropyl 2-iodo-2,5-dimethyl-1,3-dioxolane-4-carboxylate (CID 163925190) is cyclopropyl 2-iodo-2,5-dimethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for cyclopropyl 2-iodo-2,5-dimethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for cyclopropyl 2-iodo-2,5-dimethyl-1,3-dioxolane-4-carboxylate is CC1OC(C)(I)OC1C(=O)OC1CC1.
What is the InChIKey of cyclopropyl 2-iodo-2,5-dimethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is RDVZGVCDDCXVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IO4/c1-5-7(14-9(2,10)13-5)8(11)12-6-3-4-6/h5-7H,3-4H2,1-2H3.
What are the key properties of cyclopropyl 2-iodo-2,5-dimethyl-1,3-dioxolane-4-carboxylate?
cyclopropyl 2-iodo-2,5-dimethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 312.10 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 2-iodo-2,5-dimethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 163925190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).