7-iodo-2-methyl-4-methylidenenonane

C11H21I — CID 118056979

IUPAC7-iodo-2-methyl-4-methylidenenonane
SMILESC=C(CCC(I)CC)CC(C)C
InChIInChI=1S/C11H21I/c1-5-11(12)7-6-10(4)8-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyJEGAQUFCSFVZBX-UHFFFAOYSA-N
MW280.19 g/mol
LogP4.58
Rot. Bonds6

About 7-iodo-2-methyl-4-methylidenenonane

7-iodo-2-methyl-4-methylidenenonane (PubChem CID 118056979) has the molecular formula C11H21I and a molecular weight of 280.19 g/mol. Its IUPAC name is 7-iodo-2-methyl-4-methylidenenonane.

Molecular Properties

Compound Name7-iodo-2-methyl-4-methylidenenonane
PubChem CID118056979
Molecular FormulaC11H21I
Molecular Weight280.19 g/mol
Exact Mass280.07
IUPAC Name7-iodo-2-methyl-4-methylidenenonane
SMILESC=C(CCC(I)CC)CC(C)C
InChIInChI=1S/C11H21I/c1-5-11(12)7-6-10(4)8-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyJEGAQUFCSFVZBX-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
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 7-iodo-2-methyl-4-methylidenenonane?
The IUPAC name of 7-iodo-2-methyl-4-methylidenenonane (CID 118056979) is 7-iodo-2-methyl-4-methylidenenonane.
What is the SMILES notation for 7-iodo-2-methyl-4-methylidenenonane?
The canonical SMILES for 7-iodo-2-methyl-4-methylidenenonane is C=C(CCC(I)CC)CC(C)C.
What is the InChIKey of 7-iodo-2-methyl-4-methylidenenonane?
The InChIKey is JEGAQUFCSFVZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21I/c1-5-11(12)7-6-10(4)8-9(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 7-iodo-2-methyl-4-methylidenenonane?
7-iodo-2-methyl-4-methylidenenonane has a molecular weight of 280.19 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2-methyl-4-methylidenenonane is sourced from PubChem (CID 118056979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).