2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane

C14H25I — CID 163770870

IUPAC2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane
SMILESCC1CC2CC(C)C(I)(C(C)C)C(C1)C2
InChIInChI=1S/C14H25I/c1-9(2)14(15)11(4)7-12-5-10(3)6-13(14)8-12/h9-13H,5-8H2,1-4H3
InChIKeyMGIDYFCLEYCBCX-UHFFFAOYSA-N
MW320.26 g/mol
LogP4.91
Rot. Bonds1

About 2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane

2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane (PubChem CID 163770870) has the molecular formula C14H25I and a molecular weight of 320.26 g/mol. Its IUPAC name is 2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane
PubChem CID163770870
Molecular FormulaC14H25I
Molecular Weight320.26 g/mol
Exact Mass320.10
IUPAC Name2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane
SMILESCC1CC2CC(C)C(I)(C(C)C)C(C1)C2
InChIInChI=1S/C14H25I/c1-9(2)14(15)11(4)7-12-5-10(3)6-13(14)8-12/h9-13H,5-8H2,1-4H3
InChIKeyMGIDYFCLEYCBCX-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 54.91
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'}

Analyze 2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane 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

2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane
CID 143348770
2-(hydroxymethyl)-3,7-dimethylbicyclo[3.3.1]nonan-2-ol
CID 123715337
CID 143649805
CID 143649805
cis-(2S,3S)-2-iodo-3-methyl-2-propan-2-ylcyclohexane-1-thiol
CID 163483984
sodium 2-propan-2-yladamantan-2-olate
CID 169224760
2'-methylspiro[adamantane-2,1'-cyclopropane]
CID 91748046
CID 174061588
CID 174061588
CID 177036023
CID 177036023
CID 155349004
CID 155349004
2,4-di(propan-2-yl)adamantane-2,4-diol
CID 139814580
7-methylbicyclo[3.3.1]nonan-3-amine
CID 58358746
2-ethynyl-7-methylbicyclo[3.3.1]nonan-2-ol
CID 123784638

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane?
The IUPAC name of 2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane (CID 163770870) is 2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane.
What is the SMILES notation for 2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane?
The canonical SMILES for 2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane is CC1CC2CC(C)C(I)(C(C)C)C(C1)C2.
What is the InChIKey of 2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane?
The InChIKey is MGIDYFCLEYCBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25I/c1-9(2)14(15)11(4)7-12-5-10(3)6-13(14)8-12/h9-13H,5-8H2,1-4H3.
What are the key properties of 2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane?
2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane has a molecular weight of 320.26 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3,7-dimethyl-2-propan-2-ylbicyclo[3.3.1]nonane is sourced from PubChem (CID 163770870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).