2-(iodomethyl)-6,6-dimethyloxocane

C10H19IO — CID 10755304

IUPAC2-(iodomethyl)-6,6-dimethyloxocane
SMILESCC1(C)CCCC(CI)OCC1
InChIInChI=1S/C10H19IO/c1-10(2)5-3-4-9(8-11)12-7-6-10/h9H,3-8H2,1-2H3
InChIKeyZKEVEQZMRIWCCV-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.41
Rot. Bonds1

About 2-(iodomethyl)-6,6-dimethyloxocane

2-(iodomethyl)-6,6-dimethyloxocane (PubChem CID 10755304) has the molecular formula C10H19IO and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-(iodomethyl)-6,6-dimethyloxocane.

Molecular Properties

Compound Name2-(iodomethyl)-6,6-dimethyloxocane
PubChem CID10755304
Molecular FormulaC10H19IO
Molecular Weight282.17 g/mol
Exact Mass282.05
IUPAC Name2-(iodomethyl)-6,6-dimethyloxocane
SMILESCC1(C)CCCC(CI)OCC1
InChIInChI=1S/C10H19IO/c1-10(2)5-3-4-9(8-11)12-7-6-10/h9H,3-8H2,1-2H3
InChIKeyZKEVEQZMRIWCCV-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-6,6-dimethyloxocane?
The IUPAC name of 2-(iodomethyl)-6,6-dimethyloxocane (CID 10755304) is 2-(iodomethyl)-6,6-dimethyloxocane.
What is the SMILES notation for 2-(iodomethyl)-6,6-dimethyloxocane?
The canonical SMILES for 2-(iodomethyl)-6,6-dimethyloxocane is CC1(C)CCCC(CI)OCC1.
What is the InChIKey of 2-(iodomethyl)-6,6-dimethyloxocane?
The InChIKey is ZKEVEQZMRIWCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IO/c1-10(2)5-3-4-9(8-11)12-7-6-10/h9H,3-8H2,1-2H3.
What are the key properties of 2-(iodomethyl)-6,6-dimethyloxocane?
2-(iodomethyl)-6,6-dimethyloxocane has a molecular weight of 282.17 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-6,6-dimethyloxocane is sourced from PubChem (CID 10755304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).