5-butyl-6-iododecan-5-ol

C14H29IO — CID 156696088

IUPAC5-butyl-6-iododecan-5-ol
SMILESCCCCC(I)C(O)(CCCC)CCCC
InChIInChI=1S/C14H29IO/c1-4-7-10-13(15)14(16,11-8-5-2)12-9-6-3/h13,16H,4-12H2,1-3H3
InChIKeyNDMDBXZNDJABJU-UHFFFAOYSA-N
MW340.29 g/mol
LogP5.09
Rot. Bonds10

About 5-butyl-6-iododecan-5-ol

5-butyl-6-iododecan-5-ol (PubChem CID 156696088) has the molecular formula C14H29IO and a molecular weight of 340.29 g/mol. Its IUPAC name is 5-butyl-6-iododecan-5-ol.

Molecular Properties

Compound Name5-butyl-6-iododecan-5-ol
PubChem CID156696088
Molecular FormulaC14H29IO
Molecular Weight340.29 g/mol
Exact Mass340.13
IUPAC Name5-butyl-6-iododecan-5-ol
SMILESCCCCC(I)C(O)(CCCC)CCCC
InChIInChI=1S/C14H29IO/c1-4-7-10-13(15)14(16,11-8-5-2)12-9-6-3/h13,16H,4-12H2,1-3H3
InChIKeyNDMDBXZNDJABJU-UHFFFAOYSA-N
XLogP5.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.29
LogP ≤ 55.09
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

5,6-dibutyldodecan-5-ol
CID 91807952
2-iodononane-1,1,1-triol
CID 154405287
3-butylheptane-2,3-diol
CID 11008688
9-butyl-10-pentyloctadecan-9-ol
CID 90871150
10-butyl-9-octyloctadecan-9-ol
CID 91405283
2,2,3-triiododecane-1,1,1-triol
CID 118275799
16-butyl-15-tetradecylhentriacontan-15-ol
CID 175499953
9-butyl-10-methyloctadecan-9-ol
CID 173066845
8-pentylhexadecane-8,9-diol
CID 141007443
5-butylnonan-5-yl(trihydroxy)phosphanium
CID 172861013
2,3-dibutyl-2-hydroxybutanedioic acid
CID 18463835
CID 172720711
CID 172720711

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-iododecan-5-ol?
The IUPAC name of 5-butyl-6-iododecan-5-ol (CID 156696088) is 5-butyl-6-iododecan-5-ol.
What is the SMILES notation for 5-butyl-6-iododecan-5-ol?
The canonical SMILES for 5-butyl-6-iododecan-5-ol is CCCCC(I)C(O)(CCCC)CCCC.
What is the InChIKey of 5-butyl-6-iododecan-5-ol?
The InChIKey is NDMDBXZNDJABJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29IO/c1-4-7-10-13(15)14(16,11-8-5-2)12-9-6-3/h13,16H,4-12H2,1-3H3.
What are the key properties of 5-butyl-6-iododecan-5-ol?
5-butyl-6-iododecan-5-ol has a molecular weight of 340.29 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-iododecan-5-ol is sourced from PubChem (CID 156696088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).