5,6-dibutyldodecan-5-ol

C20H42O — CID 91807952

IUPAC5,6-dibutyldodecan-5-ol
SMILESCCCCCCC(CCCC)C(O)(CCCC)CCCC
InChIInChI=1S/C20H42O/c1-5-9-13-14-16-19(15-10-6-2)20(21,17-11-7-3)18-12-8-4/h19,21H,5-18H2,1-4H3
InChIKeyCYEGXGTTWBVHAU-UHFFFAOYSA-N
MW298.56 g/mol
LogP6.87
Rot. Bonds15

About 5,6-dibutyldodecan-5-ol

5,6-dibutyldodecan-5-ol (PubChem CID 91807952) has the molecular formula C20H42O and a molecular weight of 298.56 g/mol. Its IUPAC name is 5,6-dibutyldodecan-5-ol.

Molecular Properties

Compound Name5,6-dibutyldodecan-5-ol
PubChem CID91807952
Molecular FormulaC20H42O
Molecular Weight298.56 g/mol
Exact Mass298.32
IUPAC Name5,6-dibutyldodecan-5-ol
SMILESCCCCCCC(CCCC)C(O)(CCCC)CCCC
InChIInChI=1S/C20H42O/c1-5-9-13-14-16-19(15-10-6-2)20(21,17-11-7-3)18-12-8-4/h19,21H,5-18H2,1-4H3
InChIKeyCYEGXGTTWBVHAU-UHFFFAOYSA-N
XLogP6.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-butyl-10-pentyloctadecan-9-ol
CID 90871150
10-butyl-9-octyloctadecan-9-ol
CID 91405283
16-butyl-15-tetradecylhentriacontan-15-ol
CID 175499953
3-ethyl-4-pentyldodecan-3-ol
CID 91804160
9-butyl-10-methyloctadecan-9-ol
CID 173066845
5,6-dibutyloctadecan-5-ylphosphanium chloride
CID 3019009
8-pentylhexadecane-8,9-diol
CID 141007443
2,3-dibutyl-2-ethyldodecanoic acid
CID 91044194
5,6-dibutylicosan-5-amine;hydroiodide
CID 173158305
5,6-dibutylhexadecan-5-amine;hydroiodide
CID 173158056
5,6-dibutyldocosan-5-amine;hydrobromide
CID 173159826
5,6-dibutylicosan-5-ylazanium bromide
CID 3014489

Frequently Asked Questions

What is the IUPAC name of 5,6-dibutyldodecan-5-ol?
The IUPAC name of 5,6-dibutyldodecan-5-ol (CID 91807952) is 5,6-dibutyldodecan-5-ol.
What is the SMILES notation for 5,6-dibutyldodecan-5-ol?
The canonical SMILES for 5,6-dibutyldodecan-5-ol is CCCCCCC(CCCC)C(O)(CCCC)CCCC.
What is the InChIKey of 5,6-dibutyldodecan-5-ol?
The InChIKey is CYEGXGTTWBVHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-5-9-13-14-16-19(15-10-6-2)20(21,17-11-7-3)18-12-8-4/h19,21H,5-18H2,1-4H3.
What are the key properties of 5,6-dibutyldodecan-5-ol?
5,6-dibutyldodecan-5-ol has a molecular weight of 298.56 g/mol, XLogP of 6.87, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibutyldodecan-5-ol is sourced from PubChem (CID 91807952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).