(2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane

C15H31I — CID 56970315

IUPAC(2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane
SMILESCCC[C@H](C)C[C@@H](C)C[C@H](C)C[C@@H](C)CI
InChIInChI=1S/C15H31I/c1-6-7-12(2)8-13(3)9-14(4)10-15(5)11-16/h12-15H,6-11H2,1-5H3/t12-,13+,14-,15+/m0/s1
InChIKeyXRRCCPMPIMTERM-LJISPDSOSA-N
MW338.32 g/mol
LogP5.94
Rot. Bonds9

About (2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane

(2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane (PubChem CID 56970315) has the molecular formula C15H31I and a molecular weight of 338.32 g/mol. Its IUPAC name is (2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane.

Molecular Properties

Compound Name(2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane
PubChem CID56970315
Molecular FormulaC15H31I
Molecular Weight338.32 g/mol
Exact Mass338.15
IUPAC Name(2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane
SMILESCCC[C@H](C)C[C@@H](C)C[C@H](C)C[C@@H](C)CI
InChIInChI=1S/C15H31I/c1-6-7-12(2)8-13(3)9-14(4)10-15(5)11-16/h12-15H,6-11H2,1-5H3/t12-,13+,14-,15+/m0/s1
InChIKeyXRRCCPMPIMTERM-LJISPDSOSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.32
LogP ≤ 55.94
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

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CID 10848517
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2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
2,4,6,8,10-pentamethyltridecane
CID 20715673
3,5,7,9-tetramethyldodecane
CID 91047062
(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane
CID 11474903
2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol
CID 10655741
4,6,8,10-tetramethyltridecan-1-ol
CID 172545129
7-ethyl-3,5,9-trimethyldodecane
CID 123315944
4-methylheptane
CID 91413347
4-methylheptane
CID 11512

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane?
The IUPAC name of (2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane (CID 56970315) is (2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane.
What is the SMILES notation for (2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane?
The canonical SMILES for (2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane is CCC[C@H](C)C[C@@H](C)C[C@H](C)C[C@@H](C)CI.
What is the InChIKey of (2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane?
The InChIKey is XRRCCPMPIMTERM-LJISPDSOSA-N. The full InChI is InChI=1S/C15H31I/c1-6-7-12(2)8-13(3)9-14(4)10-15(5)11-16/h12-15H,6-11H2,1-5H3/t12-,13+,14-,15+/m0/s1.
What are the key properties of (2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane?
(2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane has a molecular weight of 338.32 g/mol, XLogP of 5.94, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane is sourced from PubChem (CID 56970315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).