7-chloro-1-iodoundecane

C11H22ClI — CID 122491544

IUPAC7-chloro-1-iodoundecane
SMILESCCCCC(Cl)CCCCCCI
InChIInChI=1S/C11H22ClI/c1-2-3-8-11(12)9-6-4-5-7-10-13/h11H,2-10H2,1H3
InChIKeyWZKYOWZJIXREJN-UHFFFAOYSA-N
MW316.65 g/mol
LogP5.17
Rot. Bonds9

About 7-chloro-1-iodoundecane

7-chloro-1-iodoundecane (PubChem CID 122491544) has the molecular formula C11H22ClI and a molecular weight of 316.65 g/mol. Its IUPAC name is 7-chloro-1-iodoundecane.

Molecular Properties

Compound Name7-chloro-1-iodoundecane
PubChem CID122491544
Molecular FormulaC11H22ClI
Molecular Weight316.65 g/mol
Exact Mass316.05
IUPAC Name7-chloro-1-iodoundecane
SMILESCCCCC(Cl)CCCCCCI
InChIInChI=1S/C11H22ClI/c1-2-3-8-11(12)9-6-4-5-7-10-13/h11H,2-10H2,1H3
InChIKeyWZKYOWZJIXREJN-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.65
LogP ≤ 55.17
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

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4-chlorotridecane
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12-chlorooctacosane;N-methylmethanamine
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9-chlorohexacosane;N-methylmethanamine
CID 122613288
7-(4-iodobutyl)tridecane
CID 155905887
1,5-dichlorononane
CID 57182000
CID 175765895
CID 175765895
3-chlorohenicosane
CID 87067964
3-chlorohexadecane
CID 63459281
1-bromo-3-chloropentadecane
CID 122583656

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-iodoundecane?
The IUPAC name of 7-chloro-1-iodoundecane (CID 122491544) is 7-chloro-1-iodoundecane.
What is the SMILES notation for 7-chloro-1-iodoundecane?
The canonical SMILES for 7-chloro-1-iodoundecane is CCCCC(Cl)CCCCCCI.
What is the InChIKey of 7-chloro-1-iodoundecane?
The InChIKey is WZKYOWZJIXREJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClI/c1-2-3-8-11(12)9-6-4-5-7-10-13/h11H,2-10H2,1H3.
What are the key properties of 7-chloro-1-iodoundecane?
7-chloro-1-iodoundecane has a molecular weight of 316.65 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-iodoundecane is sourced from PubChem (CID 122491544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).