(2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol

C13H27IO — CID 102474928

IUPAC(2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol
SMILESCC(C)CCC[C@@H](C)C[C@H](O)C[C@@H](C)I
InChIInChI=1S/C13H27IO/c1-10(2)6-5-7-11(3)8-13(15)9-12(4)14/h10-13,15H,5-9H2,1-4H3/t11-,12-,13+/m1/s1
InChIKeyVXJMUYBUVSKISI-UPJWGTAASA-N
MW326.26 g/mol
LogP4.41
Rot. Bonds8

About (2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol

(2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol (PubChem CID 102474928) has the molecular formula C13H27IO and a molecular weight of 326.26 g/mol. Its IUPAC name is (2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol.

Molecular Properties

Compound Name(2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol
PubChem CID102474928
Molecular FormulaC13H27IO
Molecular Weight326.26 g/mol
Exact Mass326.11
IUPAC Name(2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol
SMILESCC(C)CCC[C@@H](C)C[C@H](O)C[C@@H](C)I
InChIInChI=1S/C13H27IO/c1-10(2)6-5-7-11(3)8-13(15)9-12(4)14/h10-13,15H,5-9H2,1-4H3/t11-,12-,13+/m1/s1
InChIKeyVXJMUYBUVSKISI-UPJWGTAASA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R,6R)-2-iodo-6,10-dimethylundecan-4-ol
CID 102474927
5,9-dimethyldecan-3-ol
CID 545842
2,7,11-trimethyldodecan-4-ol
CID 162406276
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
CID 172712223
CID 172712223
2-iodoheptan-4-ol
CID 18920941
4,8-dimethylnonan-2-amine
CID 83168373
2,4,10,15,19,23-hexamethyltetracosane
CID 71327414
7,9-dimethyldecan-3-ol
CID 156689495
(2S)-2,6-dimethylheptan-1-amine
CID 13329794
1-fluoro-1-iodo-5-methylhexane
CID 141076544
ethane;2,3,5,9-tetramethyldecane
CID 172617392

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol?
The IUPAC name of (2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol (CID 102474928) is (2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol.
What is the SMILES notation for (2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol?
The canonical SMILES for (2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol is CC(C)CCC[C@@H](C)C[C@H](O)C[C@@H](C)I.
What is the InChIKey of (2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol?
The InChIKey is VXJMUYBUVSKISI-UPJWGTAASA-N. The full InChI is InChI=1S/C13H27IO/c1-10(2)6-5-7-11(3)8-13(15)9-12(4)14/h10-13,15H,5-9H2,1-4H3/t11-,12-,13+/m1/s1.
What are the key properties of (2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol?
(2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol has a molecular weight of 326.26 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol is sourced from PubChem (CID 102474928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).