1-iodo-6-methyl-4,4-bis(2-methylpropyl)heptane

C16H33I — CID 141246232

IUPAC1-iodo-6-methyl-4,4-bis(2-methylpropyl)heptane
SMILESCC(C)CC(CCCI)(CC(C)C)CC(C)C
InChIInChI=1S/C16H33I/c1-13(2)10-16(8-7-9-17,11-14(3)4)12-15(5)6/h13-15H,7-12H2,1-6H3
InChIKeyLJVZINBXASHEPD-UHFFFAOYSA-N
MW352.34 g/mol
LogP6.33
Rot. Bonds9

About 1-iodo-6-methyl-4,4-bis(2-methylpropyl)heptane

1-iodo-6-methyl-4,4-bis(2-methylpropyl)heptane (PubChem CID 141246232) has the molecular formula C16H33I and a molecular weight of 352.34 g/mol. Its IUPAC name is 1-iodo-6-methyl-4,4-bis(2-methylpropyl)heptane.

Molecular Properties

Compound Name1-iodo-6-methyl-4,4-bis(2-methylpropyl)heptane
PubChem CID141246232
Molecular FormulaC16H33I
Molecular Weight352.34 g/mol
Exact Mass352.16
IUPAC Name1-iodo-6-methyl-4,4-bis(2-methylpropyl)heptane
SMILESCC(C)CC(CCCI)(CC(C)C)CC(C)C
InChIInChI=1S/C16H33I/c1-13(2)10-16(8-7-9-17,11-14(3)4)12-15(5)6/h13-15H,7-12H2,1-6H3
InChIKeyLJVZINBXASHEPD-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.34
LogP ≤ 56.33
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

bis(2,6-dimethyl-4,4-bis(2-methylpropyl)heptane);methane
CID 159457084
4,4-bis(chloromethyl)-2-methyloctane
CID 79448135
2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane
CID 158412329
tris(2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane);methane
CID 167580098
2-butyl-2-ethylpropane-1,3-diol;2-ethyl-2-(2-methylpropyl)propane-1,3-diol
CID 88623677
4,4-bis(bromomethyl)-2,6-dimethylheptane
CID 79453294
2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol
CID 106507831
2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine
CID 62725827
4,4-diethyl-2,7-dimethyloctane
CID 57492571
1-iodo-21-methyldocosane
CID 140840720
4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane
CID 167346782
1,14-diiodo-7-methyl-7-propan-2-yltetradecane
CID 118667347

Frequently Asked Questions

What is the IUPAC name of 1-iodo-6-methyl-4,4-bis(2-methylpropyl)heptane?
The IUPAC name of 1-iodo-6-methyl-4,4-bis(2-methylpropyl)heptane (CID 141246232) is 1-iodo-6-methyl-4,4-bis(2-methylpropyl)heptane.
What is the SMILES notation for 1-iodo-6-methyl-4,4-bis(2-methylpropyl)heptane?
The canonical SMILES for 1-iodo-6-methyl-4,4-bis(2-methylpropyl)heptane is CC(C)CC(CCCI)(CC(C)C)CC(C)C.
What is the InChIKey of 1-iodo-6-methyl-4,4-bis(2-methylpropyl)heptane?
The InChIKey is LJVZINBXASHEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33I/c1-13(2)10-16(8-7-9-17,11-14(3)4)12-15(5)6/h13-15H,7-12H2,1-6H3.
What are the key properties of 1-iodo-6-methyl-4,4-bis(2-methylpropyl)heptane?
1-iodo-6-methyl-4,4-bis(2-methylpropyl)heptane has a molecular weight of 352.34 g/mol, XLogP of 6.33, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-6-methyl-4,4-bis(2-methylpropyl)heptane is sourced from PubChem (CID 141246232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).