(5S,6R)-5-chloro-6-iododecane

C10H20ClI — CID 15584088

IUPAC(5S,6R)-5-chloro-6-iododecane
SMILESCCCC[C@@H](I)[C@@H](Cl)CCCC
InChIInChI=1S/C10H20ClI/c1-3-5-7-9(11)10(12)8-6-4-2/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyCGTGLADTYQAYBL-VHSXEESVSA-N
MW302.63 g/mol
LogP4.78
Rot. Bonds7

About (5S,6R)-5-chloro-6-iododecane

(5S,6R)-5-chloro-6-iododecane (PubChem CID 15584088) has the molecular formula C10H20ClI and a molecular weight of 302.63 g/mol. Its IUPAC name is (5S,6R)-5-chloro-6-iododecane.

Molecular Properties

Compound Name(5S,6R)-5-chloro-6-iododecane
PubChem CID15584088
Molecular FormulaC10H20ClI
Molecular Weight302.63 g/mol
Exact Mass302.03
IUPAC Name(5S,6R)-5-chloro-6-iododecane
SMILESCCCC[C@@H](I)[C@@H](Cl)CCCC
InChIInChI=1S/C10H20ClI/c1-3-5-7-9(11)10(12)8-6-4-2/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyCGTGLADTYQAYBL-VHSXEESVSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.63
LogP ≤ 54.78
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

1,1-dichloropentane;gallane
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3-chloro-2-methylheptane
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1,1-dichloroheptane
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(5S,6R)-5-fluoro-6-iododecane
CID 15584091
CID 172720711
CID 172720711
(5S)-5-[chloro(iodo)methyl]dodecane
CID 167141279
butan-1-ol;1,1-dichloroheptane
CID 88631006
2-chlorohexanethioamide
CID 174768510
1,1-dichlorohexan-2-ol
CID 11019309
(9R,10R)-9,10-dichlorotetradecanoic acid
CID 101341921
5,8-dichlorododecane-6,7-dione
CID 140986134
3-chloro-2-methyltetradecane
CID 63459285

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-chloro-6-iododecane?
The IUPAC name of (5S,6R)-5-chloro-6-iododecane (CID 15584088) is (5S,6R)-5-chloro-6-iododecane.
What is the SMILES notation for (5S,6R)-5-chloro-6-iododecane?
The canonical SMILES for (5S,6R)-5-chloro-6-iododecane is CCCC[C@@H](I)[C@@H](Cl)CCCC.
What is the InChIKey of (5S,6R)-5-chloro-6-iododecane?
The InChIKey is CGTGLADTYQAYBL-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20ClI/c1-3-5-7-9(11)10(12)8-6-4-2/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (5S,6R)-5-chloro-6-iododecane?
(5S,6R)-5-chloro-6-iododecane has a molecular weight of 302.63 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-chloro-6-iododecane is sourced from PubChem (CID 15584088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).