2-(3-iodopropyl)-1,1-dimethyl-3-methylidenecyclohexane

C12H21I — CID 13353565

IUPAC2-(3-iodopropyl)-1,1-dimethyl-3-methylidenecyclohexane
SMILESC=C1CCCC(C)(C)C1CCCI
InChIInChI=1S/C12H21I/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h11H,1,4-9H2,2-3H3
InChIKeyYWMAXENMCCOSQB-UHFFFAOYSA-N
MW292.20 g/mol
LogP4.58
Rot. Bonds3

About 2-(3-iodopropyl)-1,1-dimethyl-3-methylidenecyclohexane

2-(3-iodopropyl)-1,1-dimethyl-3-methylidenecyclohexane (PubChem CID 13353565) has the molecular formula C12H21I and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-(3-iodopropyl)-1,1-dimethyl-3-methylidenecyclohexane.

Molecular Properties

Compound Name2-(3-iodopropyl)-1,1-dimethyl-3-methylidenecyclohexane
PubChem CID13353565
Molecular FormulaC12H21I
Molecular Weight292.20 g/mol
Exact Mass292.07
IUPAC Name2-(3-iodopropyl)-1,1-dimethyl-3-methylidenecyclohexane
SMILESC=C1CCCC(C)(C)C1CCCI
InChIInChI=1S/C12H21I/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h11H,1,4-9H2,2-3H3
InChIKeyYWMAXENMCCOSQB-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 54.58
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-iodopropyl)-1,1-dimethyl-3-methylidenecyclohexane?
The IUPAC name of 2-(3-iodopropyl)-1,1-dimethyl-3-methylidenecyclohexane (CID 13353565) is 2-(3-iodopropyl)-1,1-dimethyl-3-methylidenecyclohexane.
What is the SMILES notation for 2-(3-iodopropyl)-1,1-dimethyl-3-methylidenecyclohexane?
The canonical SMILES for 2-(3-iodopropyl)-1,1-dimethyl-3-methylidenecyclohexane is C=C1CCCC(C)(C)C1CCCI.
What is the InChIKey of 2-(3-iodopropyl)-1,1-dimethyl-3-methylidenecyclohexane?
The InChIKey is YWMAXENMCCOSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21I/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h11H,1,4-9H2,2-3H3.
What are the key properties of 2-(3-iodopropyl)-1,1-dimethyl-3-methylidenecyclohexane?
2-(3-iodopropyl)-1,1-dimethyl-3-methylidenecyclohexane has a molecular weight of 292.20 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodopropyl)-1,1-dimethyl-3-methylidenecyclohexane is sourced from PubChem (CID 13353565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).