(6R,7R)-7-iodo-6-methoxy-6-methyldodecane

C14H29IO — CID 10759564

IUPAC(6R,7R)-7-iodo-6-methoxy-6-methyldodecane
SMILESCCCCC[C@@H](I)[C@@](C)(CCCCC)OC
InChIInChI=1S/C14H29IO/c1-5-7-9-11-13(15)14(3,16-4)12-10-8-6-2/h13H,5-12H2,1-4H3/t13-,14-/m1/s1
InChIKeyVSYNSXZHHZPWSD-ZIAGYGMSSA-N
MW340.29 g/mol
LogP5.36
Rot. Bonds10

About (6R,7R)-7-iodo-6-methoxy-6-methyldodecane

(6R,7R)-7-iodo-6-methoxy-6-methyldodecane (PubChem CID 10759564) has the molecular formula C14H29IO and a molecular weight of 340.29 g/mol. Its IUPAC name is (6R,7R)-7-iodo-6-methoxy-6-methyldodecane.

Molecular Properties

Compound Name(6R,7R)-7-iodo-6-methoxy-6-methyldodecane
PubChem CID10759564
Molecular FormulaC14H29IO
Molecular Weight340.29 g/mol
Exact Mass340.13
IUPAC Name(6R,7R)-7-iodo-6-methoxy-6-methyldodecane
SMILESCCCCC[C@@H](I)[C@@](C)(CCCCC)OC
InChIInChI=1S/C14H29IO/c1-5-7-9-11-13(15)14(3,16-4)12-10-8-6-2/h13H,5-12H2,1-4H3/t13-,14-/m1/s1
InChIKeyVSYNSXZHHZPWSD-ZIAGYGMSSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.29
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of (6R,7R)-7-iodo-6-methoxy-6-methyldodecane?
The IUPAC name of (6R,7R)-7-iodo-6-methoxy-6-methyldodecane (CID 10759564) is (6R,7R)-7-iodo-6-methoxy-6-methyldodecane.
What is the SMILES notation for (6R,7R)-7-iodo-6-methoxy-6-methyldodecane?
The canonical SMILES for (6R,7R)-7-iodo-6-methoxy-6-methyldodecane is CCCCC[C@@H](I)[C@@](C)(CCCCC)OC.
What is the InChIKey of (6R,7R)-7-iodo-6-methoxy-6-methyldodecane?
The InChIKey is VSYNSXZHHZPWSD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H29IO/c1-5-7-9-11-13(15)14(3,16-4)12-10-8-6-2/h13H,5-12H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of (6R,7R)-7-iodo-6-methoxy-6-methyldodecane?
(6R,7R)-7-iodo-6-methoxy-6-methyldodecane has a molecular weight of 340.29 g/mol, XLogP of 5.36, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-7-iodo-6-methoxy-6-methyldodecane is sourced from PubChem (CID 10759564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).