6,7-bis(iodomethyl)bicyclo[3.2.1]octane

C10H16I2 — CID 167069534

IUPAC6,7-bis(iodomethyl)bicyclo[3.2.1]octane
SMILESICC1C2CCCC(C2)C1CI
InChIInChI=1S/C10H16I2/c11-5-9-7-2-1-3-8(4-7)10(9)6-12/h7-10H,1-6H2
InChIKeyVLKRSRRQAUEYAZ-UHFFFAOYSA-N
MW390.05 g/mol
LogP3.91
Rot. Bonds2

About 6,7-bis(iodomethyl)bicyclo[3.2.1]octane

6,7-bis(iodomethyl)bicyclo[3.2.1]octane (PubChem CID 167069534) has the molecular formula C10H16I2 and a molecular weight of 390.05 g/mol. Its IUPAC name is 6,7-bis(iodomethyl)bicyclo[3.2.1]octane.

Molecular Properties

Compound Name6,7-bis(iodomethyl)bicyclo[3.2.1]octane
PubChem CID167069534
Molecular FormulaC10H16I2
Molecular Weight390.05 g/mol
Exact Mass389.93
IUPAC Name6,7-bis(iodomethyl)bicyclo[3.2.1]octane
SMILESICC1C2CCCC(C2)C1CI
InChIInChI=1S/C10H16I2/c11-5-9-7-2-1-3-8(4-7)10(9)6-12/h7-10H,1-6H2
InChIKeyVLKRSRRQAUEYAZ-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.05
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(iodomethyl)-3-propylbicyclo[2.2.1]heptane
CID 134454213
bicyclo[3.1.0]hexane;dihydrochloride
CID 141306080
bis(bicyclo[3.1.0]hexane);trihydrochloride
CID 69185190
tricyclo[4.3.1.12,5]undecane
CID 13070377
4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
CID 123828031
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
2-(iodomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 13487203
(1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane
CID 101020983
pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456
cyclohexylcyclohexane;diiodomethane
CID 123720179
tricyclo[11.3.0.05,9]hexadecane
CID 154595560

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(iodomethyl)bicyclo[3.2.1]octane?
The IUPAC name of 6,7-bis(iodomethyl)bicyclo[3.2.1]octane (CID 167069534) is 6,7-bis(iodomethyl)bicyclo[3.2.1]octane.
What is the SMILES notation for 6,7-bis(iodomethyl)bicyclo[3.2.1]octane?
The canonical SMILES for 6,7-bis(iodomethyl)bicyclo[3.2.1]octane is ICC1C2CCCC(C2)C1CI.
What is the InChIKey of 6,7-bis(iodomethyl)bicyclo[3.2.1]octane?
The InChIKey is VLKRSRRQAUEYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16I2/c11-5-9-7-2-1-3-8(4-7)10(9)6-12/h7-10H,1-6H2.
What are the key properties of 6,7-bis(iodomethyl)bicyclo[3.2.1]octane?
6,7-bis(iodomethyl)bicyclo[3.2.1]octane has a molecular weight of 390.05 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(iodomethyl)bicyclo[3.2.1]octane is sourced from PubChem (CID 167069534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).