cyclohexyl iodo carbonate

C7H11IO3 — CID 139427010

IUPACcyclohexyl iodo carbonate
SMILESO=C(OI)OC1CCCCC1
InChIInChI=1S/C7H11IO3/c8-11-7(9)10-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyLFENZHOCNRTHLE-UHFFFAOYSA-N
MW270.07 g/mol
LogP2.82
Rot. Bonds1

About cyclohexyl iodo carbonate

cyclohexyl iodo carbonate (PubChem CID 139427010) has the molecular formula C7H11IO3 and a molecular weight of 270.07 g/mol. Its IUPAC name is cyclohexyl iodo carbonate.

Molecular Properties

Compound Namecyclohexyl iodo carbonate
PubChem CID139427010
Molecular FormulaC7H11IO3
Molecular Weight270.07 g/mol
Exact Mass269.98
IUPAC Namecyclohexyl iodo carbonate
SMILESO=C(OI)OC1CCCCC1
InChIInChI=1S/C7H11IO3/c8-11-7(9)10-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyLFENZHOCNRTHLE-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.07
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dicyclononyl carbonate
CID 139618210
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782
cycloheptyl iodomethyl carbonate
CID 86119288
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclohexyl hydroxymethyl carbonate
CID 54112347
cycloheptyl hydrogen carbonate
CID 23179405
cyclohexyl hydrogen carbonate;iodomethane
CID 174434119
(1-chloro-1-iodoethyl) cyclohexyl carbonate
CID 69058507
cycloheptadecyl acetate
CID 57215828
cyclohexyloxycarbonyl-λ2-stannane
CID 174853148

Frequently Asked Questions

What is the IUPAC name of cyclohexyl iodo carbonate?
The IUPAC name of cyclohexyl iodo carbonate (CID 139427010) is cyclohexyl iodo carbonate.
What is the SMILES notation for cyclohexyl iodo carbonate?
The canonical SMILES for cyclohexyl iodo carbonate is O=C(OI)OC1CCCCC1.
What is the InChIKey of cyclohexyl iodo carbonate?
The InChIKey is LFENZHOCNRTHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IO3/c8-11-7(9)10-6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of cyclohexyl iodo carbonate?
cyclohexyl iodo carbonate has a molecular weight of 270.07 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl iodo carbonate is sourced from PubChem (CID 139427010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).