decan-1-ol;8,8-dimethylundecan-1-ol

C23H50O2 — CID 162145912

IUPACdecan-1-ol;8,8-dimethylundecan-1-ol
SMILESCCCC(C)(C)CCCCCCCO.CCCCCCCCCCO
InChIInChI=1S/C13H28O.C10H22O/c1-4-10-13(2,3)11-8-6-5-7-9-12-14;1-2-3-4-5-6-7-8-9-10-11/h14H,4-12H2,1-3H3;11H,2-10H2,1H3
InChIKeyZKNZCDWIPPMRIO-UHFFFAOYSA-N
MW358.65 g/mol
LogP7.26
Rot. Bonds17

About decan-1-ol;8,8-dimethylundecan-1-ol

decan-1-ol;8,8-dimethylundecan-1-ol (PubChem CID 162145912) has the molecular formula C23H50O2 and a molecular weight of 358.65 g/mol. Its IUPAC name is decan-1-ol;8,8-dimethylundecan-1-ol.

Molecular Properties

Compound Namedecan-1-ol;8,8-dimethylundecan-1-ol
PubChem CID162145912
Molecular FormulaC23H50O2
Molecular Weight358.65 g/mol
Exact Mass358.38
IUPAC Namedecan-1-ol;8,8-dimethylundecan-1-ol
SMILESCCCC(C)(C)CCCCCCCO.CCCCCCCCCCO
InChIInChI=1S/C13H28O.C10H22O/c1-4-10-13(2,3)11-8-6-5-7-9-12-14;1-2-3-4-5-6-7-8-9-10-11/h14H,4-12H2,1-3H3;11H,2-10H2,1H3
InChIKeyZKNZCDWIPPMRIO-UHFFFAOYSA-N
XLogP7.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7,7-dimethyldocosan-1-ol
CID 150860437
3,3-dimethyloctan-1-ol
CID 18704344
16,16,21,21-tetramethylhexatriacontane
CID 174880889
4-methyl-4-octyldodecan-1-ol
CID 87375187
6-methyl-6-pentylundecane-1,11-diol
CID 87660447
2,2-dimethyldecan-1-ol
CID 520069
calcium;dodecan-1-ol;hydride
CID 173099575
calcium;hydride;undecan-1-ol
CID 174734394
hexan-1-ol;nonane
CID 175106830
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033

Frequently Asked Questions

What is the IUPAC name of decan-1-ol;8,8-dimethylundecan-1-ol?
The IUPAC name of decan-1-ol;8,8-dimethylundecan-1-ol (CID 162145912) is decan-1-ol;8,8-dimethylundecan-1-ol.
What is the SMILES notation for decan-1-ol;8,8-dimethylundecan-1-ol?
The canonical SMILES for decan-1-ol;8,8-dimethylundecan-1-ol is CCCC(C)(C)CCCCCCCO.CCCCCCCCCCO.
What is the InChIKey of decan-1-ol;8,8-dimethylundecan-1-ol?
The InChIKey is ZKNZCDWIPPMRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O.C10H22O/c1-4-10-13(2,3)11-8-6-5-7-9-12-14;1-2-3-4-5-6-7-8-9-10-11/h14H,4-12H2,1-3H3;11H,2-10H2,1H3.
What are the key properties of decan-1-ol;8,8-dimethylundecan-1-ol?
decan-1-ol;8,8-dimethylundecan-1-ol has a molecular weight of 358.65 g/mol, XLogP of 7.26, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-ol;8,8-dimethylundecan-1-ol is sourced from PubChem (CID 162145912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).