3-ethyl-3,5-dimethylnonan-4-ol

C13H28O — CID 156689817

IUPAC3-ethyl-3,5-dimethylnonan-4-ol
SMILESCCCCC(C)C(O)C(C)(CC)CC
InChIInChI=1S/C13H28O/c1-6-9-10-11(4)12(14)13(5,7-2)8-3/h11-12,14H,6-10H2,1-5H3
InChIKeyJAIFALJOKJCADB-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.00
Rot. Bonds7

About 3-ethyl-3,5-dimethylnonan-4-ol

3-ethyl-3,5-dimethylnonan-4-ol (PubChem CID 156689817) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 3-ethyl-3,5-dimethylnonan-4-ol.

Molecular Properties

Compound Name3-ethyl-3,5-dimethylnonan-4-ol
PubChem CID156689817
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name3-ethyl-3,5-dimethylnonan-4-ol
SMILESCCCCC(C)C(O)C(C)(CC)CC
InChIInChI=1S/C13H28O/c1-6-9-10-11(4)12(14)13(5,7-2)8-3/h11-12,14H,6-10H2,1-5H3
InChIKeyJAIFALJOKJCADB-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,6,7-tetramethylundecane
CID 123602815
butane;ethane;3-methylheptan-2-ol
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2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol
CID 91010902
1-fluoro-3-methylheptan-2-ol
CID 122599053
2,2,4,5-tetramethylnonane
CID 57490937
3-ethyl-3-methyloctane-2,4-diol
CID 57198922
5,6,14,15-tetramethylnonadecane
CID 123473711
3,4-dimethylnonane-3,5-diol
CID 57165420
3-(aminomethyl)-3-methylnonan-4-ol
CID 79137941
(2S,3R,7R)-3,7-dimethylundecan-2-ol
CID 15548643
6-ethyl-6,9-dimethyldec-8-en-5-ol
CID 118389079
2,3-dimethylheptane;ethane
CID 156648444

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,5-dimethylnonan-4-ol?
The IUPAC name of 3-ethyl-3,5-dimethylnonan-4-ol (CID 156689817) is 3-ethyl-3,5-dimethylnonan-4-ol.
What is the SMILES notation for 3-ethyl-3,5-dimethylnonan-4-ol?
The canonical SMILES for 3-ethyl-3,5-dimethylnonan-4-ol is CCCCC(C)C(O)C(C)(CC)CC.
What is the InChIKey of 3-ethyl-3,5-dimethylnonan-4-ol?
The InChIKey is JAIFALJOKJCADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-6-9-10-11(4)12(14)13(5,7-2)8-3/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 3-ethyl-3,5-dimethylnonan-4-ol?
3-ethyl-3,5-dimethylnonan-4-ol has a molecular weight of 200.37 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,5-dimethylnonan-4-ol is sourced from PubChem (CID 156689817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).