1,14-diiodo-7-methyl-7-propan-2-yltetradecane

C18H36I2 — CID 118667347

IUPAC1,14-diiodo-7-methyl-7-propan-2-yltetradecane
SMILESCC(C)C(C)(CCCCCCI)CCCCCCCI
InChIInChI=1S/C18H36I2/c1-17(2)18(3,14-10-6-8-12-16-20)13-9-5-4-7-11-15-19/h17H,4-16H2,1-3H3
InChIKeyCOZVJYMWXCFHMC-UHFFFAOYSA-N
MW506.29 g/mol
LogP7.81
Rot. Bonds14

About 1,14-diiodo-7-methyl-7-propan-2-yltetradecane

1,14-diiodo-7-methyl-7-propan-2-yltetradecane (PubChem CID 118667347) has the molecular formula C18H36I2 and a molecular weight of 506.29 g/mol. Its IUPAC name is 1,14-diiodo-7-methyl-7-propan-2-yltetradecane.

Molecular Properties

Compound Name1,14-diiodo-7-methyl-7-propan-2-yltetradecane
PubChem CID118667347
Molecular FormulaC18H36I2
Molecular Weight506.29 g/mol
Exact Mass506.09
IUPAC Name1,14-diiodo-7-methyl-7-propan-2-yltetradecane
SMILESCC(C)C(C)(CCCCCCI)CCCCCCCI
InChIInChI=1S/C18H36I2/c1-17(2)18(3,14-10-6-8-12-16-20)13-9-5-4-7-11-15-19/h17H,4-16H2,1-3H3
InChIKeyCOZVJYMWXCFHMC-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.29
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-methyl-6-propan-2-ylundecane
CID 87930599
3-ethyl-2,3-dimethylnonane
CID 57490996
3-ethyl-2,3-dimethyldecane
CID 57491701
(2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol
CID 174859457
13-iodo-7,7-dimethyltridecan-1-amine
CID 89328032
1,11-diiodoundecane
CID 4060847
N,2-dimethyl-2-propan-2-yloctan-1-amine
CID 83159293
1-iodo-21-methyldocosane
CID 140840720
N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine
CID 83151435
2-methyl-2-propan-2-yl-N-propyloctan-1-amine
CID 83159495
1,8-diiodononane
CID 168864675
1,7-diiodooctane
CID 168864689

Frequently Asked Questions

What is the IUPAC name of 1,14-diiodo-7-methyl-7-propan-2-yltetradecane?
The IUPAC name of 1,14-diiodo-7-methyl-7-propan-2-yltetradecane (CID 118667347) is 1,14-diiodo-7-methyl-7-propan-2-yltetradecane.
What is the SMILES notation for 1,14-diiodo-7-methyl-7-propan-2-yltetradecane?
The canonical SMILES for 1,14-diiodo-7-methyl-7-propan-2-yltetradecane is CC(C)C(C)(CCCCCCI)CCCCCCCI.
What is the InChIKey of 1,14-diiodo-7-methyl-7-propan-2-yltetradecane?
The InChIKey is COZVJYMWXCFHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36I2/c1-17(2)18(3,14-10-6-8-12-16-20)13-9-5-4-7-11-15-19/h17H,4-16H2,1-3H3.
What are the key properties of 1,14-diiodo-7-methyl-7-propan-2-yltetradecane?
1,14-diiodo-7-methyl-7-propan-2-yltetradecane has a molecular weight of 506.29 g/mol, XLogP of 7.81, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,14-diiodo-7-methyl-7-propan-2-yltetradecane is sourced from PubChem (CID 118667347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).