cyclohexyl hydrogen carbonate;iodomethane

C8H15IO3 — CID 174434119

IUPACcyclohexyl hydrogen carbonate;iodomethane
SMILESCI.O=C(O)OC1CCCCC1
InChIInChI=1S/C7H12O3.CH3I/c8-7(9)10-6-4-2-1-3-5-6;1-2/h6H,1-5H2,(H,8,9);1H3
InChIKeyCTNBAJMQDKMFGX-UHFFFAOYSA-N
MW286.11 g/mol
LogP3.06
Rot. Bonds1

About cyclohexyl hydrogen carbonate;iodomethane

cyclohexyl hydrogen carbonate;iodomethane (PubChem CID 174434119) has the molecular formula C8H15IO3 and a molecular weight of 286.11 g/mol. Its IUPAC name is cyclohexyl hydrogen carbonate;iodomethane.

Molecular Properties

Compound Namecyclohexyl hydrogen carbonate;iodomethane
PubChem CID174434119
Molecular FormulaC8H15IO3
Molecular Weight286.11 g/mol
Exact Mass286.01
IUPAC Namecyclohexyl hydrogen carbonate;iodomethane
SMILESCI.O=C(O)OC1CCCCC1
InChIInChI=1S/C7H12O3.CH3I/c8-7(9)10-6-4-2-1-3-5-6;1-2/h6H,1-5H2,(H,8,9);1H3
InChIKeyCTNBAJMQDKMFGX-UHFFFAOYSA-N
XLogP3.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexyl hydrogen carbonate;iodomethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cycloheptyl hydrogen carbonate
CID 23179405
azane;cyclohexyl hydrogen carbonate
CID 67723937
cyclopentyl hydrogen carbonate;oxolane
CID 175213240
cycloheptadecyl acetate
CID 57215828
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
dicyclononyl carbonate
CID 139618210
cyclohexyl acetate;dihydrochloride
CID 140971070
azane;cyclohexyl acetate
CID 174554221
cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione
CID 68845454
(6-acetyloxycyclodecyl) acetate
CID 539578
cyclooctyl carbonochloridate;ethane
CID 144532416
lithium;carbanide;cyclohexyl acetate
CID 158677387

Frequently Asked Questions

What is the IUPAC name of cyclohexyl hydrogen carbonate;iodomethane?
The IUPAC name of cyclohexyl hydrogen carbonate;iodomethane (CID 174434119) is cyclohexyl hydrogen carbonate;iodomethane.
What is the SMILES notation for cyclohexyl hydrogen carbonate;iodomethane?
The canonical SMILES for cyclohexyl hydrogen carbonate;iodomethane is CI.O=C(O)OC1CCCCC1.
What is the InChIKey of cyclohexyl hydrogen carbonate;iodomethane?
The InChIKey is CTNBAJMQDKMFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.CH3I/c8-7(9)10-6-4-2-1-3-5-6;1-2/h6H,1-5H2,(H,8,9);1H3.
What are the key properties of cyclohexyl hydrogen carbonate;iodomethane?
cyclohexyl hydrogen carbonate;iodomethane has a molecular weight of 286.11 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl hydrogen carbonate;iodomethane is sourced from PubChem (CID 174434119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).