2,2-dimethylpropyl iodomethyl carbonate

C7H13IO3 — CID 23449228

IUPAC2,2-dimethylpropyl iodomethyl carbonate
SMILESCC(C)(C)COC(=O)OCI
InChIInChI=1S/C7H13IO3/c1-7(2,3)4-10-6(9)11-5-8/h4-5H2,1-3H3
InChIKeyWUUDRRQMJGPHKK-UHFFFAOYSA-N
MW272.08 g/mol
LogP2.58
Rot. Bonds2

About 2,2-dimethylpropyl iodomethyl carbonate

2,2-dimethylpropyl iodomethyl carbonate (PubChem CID 23449228) has the molecular formula C7H13IO3 and a molecular weight of 272.08 g/mol. Its IUPAC name is 2,2-dimethylpropyl iodomethyl carbonate.

Molecular Properties

Compound Name2,2-dimethylpropyl iodomethyl carbonate
PubChem CID23449228
Molecular FormulaC7H13IO3
Molecular Weight272.08 g/mol
Exact Mass271.99
IUPAC Name2,2-dimethylpropyl iodomethyl carbonate
SMILESCC(C)(C)COC(=O)OCI
InChIInChI=1S/C7H13IO3/c1-7(2,3)4-10-6(9)11-5-8/h4-5H2,1-3H3
InChIKeyWUUDRRQMJGPHKK-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.08
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropyl carboniodidate
CID 71320370
2-chloroethyl 2,2-dimethylpropyl carbonate
CID 91693115
2,2-dimethylpropyl 2-methylbutyl carbonate
CID 91695775
2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate
CID 177115561
2,2-dimethylpropyl acetate
CID 13552
2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium
CID 175510991
ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate
CID 87257255
bis(2,2-dimethylpropyl) (Z)-but-2-enedioate
CID 87865540
2,2-dimethylpropyl (2,4,6-trichlorophenyl) carbonate
CID 91691495
2,2-dimethylpropyl (2R)-2-aminopropanoate
CID 86662579
2,2-dimethylpropyl 2,2-bis(sulfanyl)acetate
CID 57167978
2,2-dimethylpropyl 2,2-dichloroacetate
CID 545775

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl iodomethyl carbonate?
The IUPAC name of 2,2-dimethylpropyl iodomethyl carbonate (CID 23449228) is 2,2-dimethylpropyl iodomethyl carbonate.
What is the SMILES notation for 2,2-dimethylpropyl iodomethyl carbonate?
The canonical SMILES for 2,2-dimethylpropyl iodomethyl carbonate is CC(C)(C)COC(=O)OCI.
What is the InChIKey of 2,2-dimethylpropyl iodomethyl carbonate?
The InChIKey is WUUDRRQMJGPHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IO3/c1-7(2,3)4-10-6(9)11-5-8/h4-5H2,1-3H3.
What are the key properties of 2,2-dimethylpropyl iodomethyl carbonate?
2,2-dimethylpropyl iodomethyl carbonate has a molecular weight of 272.08 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl iodomethyl carbonate is sourced from PubChem (CID 23449228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).