4,6-diethylnonan-4-ol

C13H28O — CID 123321409

IUPAC4,6-diethylnonan-4-ol
SMILESCCCC(CC)CC(O)(CC)CCC
InChIInChI=1S/C13H28O/c1-5-9-12(7-3)11-13(14,8-4)10-6-2/h12,14H,5-11H2,1-4H3
InChIKeyKBIFXTJFEDEXIU-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.14
Rot. Bonds8

About 4,6-diethylnonan-4-ol

4,6-diethylnonan-4-ol (PubChem CID 123321409) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 4,6-diethylnonan-4-ol.

Molecular Properties

Compound Name4,6-diethylnonan-4-ol
PubChem CID123321409
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name4,6-diethylnonan-4-ol
SMILESCCCC(CC)CC(O)(CC)CCC
InChIInChI=1S/C13H28O/c1-5-9-12(7-3)11-13(14,8-4)10-6-2/h12,14H,5-11H2,1-4H3
InChIKeyKBIFXTJFEDEXIU-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-diethyloctane-1,5-diol
CID 87743708
2,5-diethyloctane-1,2-diol
CID 87744729
3,5-diethylheptan-3-ol
CID 82929105
2,4-diethyloctane-1,4-diol
CID 87744704
6-ethyl-3-methylnonane-4,6-diol
CID 87743551
8-ethyl-4,4-dimethylundecane
CID 123621747
azane;3-ethylhexan-3-ol;hydrochloride
CID 175147879
4-ethylheptane;methane
CID 143165373
3-benzyl-5-ethylnonan-3-ol
CID 79007570
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
5-ethyl-2,2-difluorooctane
CID 144565046
4-ethyl-7,7-dimethyloctan-4-ol
CID 59856312

Frequently Asked Questions

What is the IUPAC name of 4,6-diethylnonan-4-ol?
The IUPAC name of 4,6-diethylnonan-4-ol (CID 123321409) is 4,6-diethylnonan-4-ol.
What is the SMILES notation for 4,6-diethylnonan-4-ol?
The canonical SMILES for 4,6-diethylnonan-4-ol is CCCC(CC)CC(O)(CC)CCC.
What is the InChIKey of 4,6-diethylnonan-4-ol?
The InChIKey is KBIFXTJFEDEXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-5-9-12(7-3)11-13(14,8-4)10-6-2/h12,14H,5-11H2,1-4H3.
What are the key properties of 4,6-diethylnonan-4-ol?
4,6-diethylnonan-4-ol has a molecular weight of 200.37 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethylnonan-4-ol is sourced from PubChem (CID 123321409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).