4-ethyldecan-1-ol

C12H26O — CID 91002231

IUPAC4-ethyldecan-1-ol
SMILESCCCCCCC(CC)CCCO
InChIInChI=1S/C12H26O/c1-3-5-6-7-9-12(4-2)10-8-11-13/h12-13H,3-11H2,1-2H3
InChIKeyOYTSIQCCOOVUOB-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.76
Rot. Bonds9

About 4-ethyldecan-1-ol

4-ethyldecan-1-ol (PubChem CID 91002231) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 4-ethyldecan-1-ol.

Molecular Properties

Compound Name4-ethyldecan-1-ol
PubChem CID91002231
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name4-ethyldecan-1-ol
SMILESCCCCCCC(CC)CCCO
InChIInChI=1S/C12H26O/c1-3-5-6-7-9-12(4-2)10-8-11-13/h12-13H,3-11H2,1-2H3
InChIKeyOYTSIQCCOOVUOB-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.76
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

4-ethyltridecan-1-ol
CID 20550506
azane;3-ethylhenicosan-1-ol
CID 174815540
4-hexyldodecan-1-ol
CID 23212981
4-heptadecylheptane-1,7-diol
CID 54374368
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
3-octyldodecane-1,12-diol
CID 141481121
18-ethylhenicosan-1-ol
CID 87097708
3-octyltridecan-1-ol
CID 13109029
3-pentylundecan-1-ol
CID 118576679

Frequently Asked Questions

What is the IUPAC name of 4-ethyldecan-1-ol?
The IUPAC name of 4-ethyldecan-1-ol (CID 91002231) is 4-ethyldecan-1-ol.
What is the SMILES notation for 4-ethyldecan-1-ol?
The canonical SMILES for 4-ethyldecan-1-ol is CCCCCCC(CC)CCCO.
What is the InChIKey of 4-ethyldecan-1-ol?
The InChIKey is OYTSIQCCOOVUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-3-5-6-7-9-12(4-2)10-8-11-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-ethyldecan-1-ol?
4-ethyldecan-1-ol has a molecular weight of 186.34 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyldecan-1-ol is sourced from PubChem (CID 91002231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).