3,3-diethyldecan-4-ol

C14H30O — CID 150278197

IUPAC3,3-diethyldecan-4-ol
SMILESCCCCCCC(O)C(CC)(CC)CC
InChIInChI=1S/C14H30O/c1-5-9-10-11-12-13(15)14(6-2,7-3)8-4/h13,15H,5-12H2,1-4H3
InChIKeyGKAWELPUZZNWRP-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.53
Rot. Bonds9

About 3,3-diethyldecan-4-ol

3,3-diethyldecan-4-ol (PubChem CID 150278197) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 3,3-diethyldecan-4-ol.

Molecular Properties

Compound Name3,3-diethyldecan-4-ol
PubChem CID150278197
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name3,3-diethyldecan-4-ol
SMILESCCCCCCC(O)C(CC)(CC)CC
InChIInChI=1S/C14H30O/c1-5-9-10-11-12-13(15)14(6-2,7-3)8-4/h13,15H,5-12H2,1-4H3
InChIKeyGKAWELPUZZNWRP-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.53
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

15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411
3-methyldodecane-3,4-diol
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2-methyldodecane-2,3-diol
CID 90439854
2-methylheptadecane-2,3-diol
CID 90439823
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470
3-aminohenicosane-3,4-diol
CID 87769820
2,2-bis(hydroxymethyl)hexadecane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite
CID 162048403
3-(aminomethyl)-3-methylundecan-4-ol
CID 79137732
octadecane-8,11-diol
CID 101412726
10-heptylicosane-9,10,11-triol
CID 91021869
8-pentylhexadecane-8,9-diol
CID 141007443

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyldecan-4-ol?
The IUPAC name of 3,3-diethyldecan-4-ol (CID 150278197) is 3,3-diethyldecan-4-ol.
What is the SMILES notation for 3,3-diethyldecan-4-ol?
The canonical SMILES for 3,3-diethyldecan-4-ol is CCCCCCC(O)C(CC)(CC)CC.
What is the InChIKey of 3,3-diethyldecan-4-ol?
The InChIKey is GKAWELPUZZNWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-5-9-10-11-12-13(15)14(6-2,7-3)8-4/h13,15H,5-12H2,1-4H3.
What are the key properties of 3,3-diethyldecan-4-ol?
3,3-diethyldecan-4-ol has a molecular weight of 214.39 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyldecan-4-ol is sourced from PubChem (CID 150278197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).