2-iodo-5,9-dimethylundecan-5-ol

C13H27IO — CID 134171381

IUPAC2-iodo-5,9-dimethylundecan-5-ol
SMILESCCC(C)CCCC(C)(O)CCC(C)I
InChIInChI=1S/C13H27IO/c1-5-11(2)7-6-9-13(4,15)10-8-12(3)14/h11-12,15H,5-10H2,1-4H3
InChIKeyYYEULLDKPHCMBO-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.56
Rot. Bonds8

About 2-iodo-5,9-dimethylundecan-5-ol

2-iodo-5,9-dimethylundecan-5-ol (PubChem CID 134171381) has the molecular formula C13H27IO and a molecular weight of 326.26 g/mol. Its IUPAC name is 2-iodo-5,9-dimethylundecan-5-ol.

Molecular Properties

Compound Name2-iodo-5,9-dimethylundecan-5-ol
PubChem CID134171381
Molecular FormulaC13H27IO
Molecular Weight326.26 g/mol
Exact Mass326.11
IUPAC Name2-iodo-5,9-dimethylundecan-5-ol
SMILESCCC(C)CCCC(C)(O)CCC(C)I
InChIInChI=1S/C13H27IO/c1-5-11(2)7-6-9-13(4,15)10-8-12(3)14/h11-12,15H,5-10H2,1-4H3
InChIKeyYYEULLDKPHCMBO-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
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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Frequently Asked Questions

What is the IUPAC name of 2-iodo-5,9-dimethylundecan-5-ol?
The IUPAC name of 2-iodo-5,9-dimethylundecan-5-ol (CID 134171381) is 2-iodo-5,9-dimethylundecan-5-ol.
What is the SMILES notation for 2-iodo-5,9-dimethylundecan-5-ol?
The canonical SMILES for 2-iodo-5,9-dimethylundecan-5-ol is CCC(C)CCCC(C)(O)CCC(C)I.
What is the InChIKey of 2-iodo-5,9-dimethylundecan-5-ol?
The InChIKey is YYEULLDKPHCMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27IO/c1-5-11(2)7-6-9-13(4,15)10-8-12(3)14/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 2-iodo-5,9-dimethylundecan-5-ol?
2-iodo-5,9-dimethylundecan-5-ol has a molecular weight of 326.26 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5,9-dimethylundecan-5-ol is sourced from PubChem (CID 134171381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).