2-ethoxy-5,7-dimethyloctan-4-ol

C12H26O2 — CID 134339583

IUPAC2-ethoxy-5,7-dimethyloctan-4-ol
SMILESCCOC(C)CC(O)C(C)CC(C)C
InChIInChI=1S/C12H26O2/c1-6-14-11(5)8-12(13)10(4)7-9(2)3/h9-13H,6-8H2,1-5H3
InChIKeyOXQAKOZMINHFFB-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.84
Rot. Bonds7

About 2-ethoxy-5,7-dimethyloctan-4-ol

2-ethoxy-5,7-dimethyloctan-4-ol (PubChem CID 134339583) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-ethoxy-5,7-dimethyloctan-4-ol.

Molecular Properties

Compound Name2-ethoxy-5,7-dimethyloctan-4-ol
PubChem CID134339583
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2-ethoxy-5,7-dimethyloctan-4-ol
SMILESCCOC(C)CC(O)C(C)CC(C)C
InChIInChI=1S/C12H26O2/c1-6-14-11(5)8-12(13)10(4)7-9(2)3/h9-13H,6-8H2,1-5H3
InChIKeyOXQAKOZMINHFFB-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 159597367
CID 159597367
(4S)-2-ethoxy-4-methoxypentane
CID 88970287
strontium;1-ethoxyethanol;hydride
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1-chloro-1,3-diethoxybutane
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2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid
CID 63074300
1-ethoxyethanol;N-methylmethanamine
CID 18941772
ethanamine;1-ethoxyethanol
CID 20501270
2,4,6,7-tetramethylnonan-5-ol
CID 156689826
(2S,4R)-2-amino-4-ethoxypentanoic acid
CID 87418096
alumane;2,4,5-trimethylheptane
CID 174508217
ethane;2,4,5-trimethylheptane
CID 142268679
1-ethoxybutane-1,3-diol
CID 20870845

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5,7-dimethyloctan-4-ol?
The IUPAC name of 2-ethoxy-5,7-dimethyloctan-4-ol (CID 134339583) is 2-ethoxy-5,7-dimethyloctan-4-ol.
What is the SMILES notation for 2-ethoxy-5,7-dimethyloctan-4-ol?
The canonical SMILES for 2-ethoxy-5,7-dimethyloctan-4-ol is CCOC(C)CC(O)C(C)CC(C)C.
What is the InChIKey of 2-ethoxy-5,7-dimethyloctan-4-ol?
The InChIKey is OXQAKOZMINHFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-6-14-11(5)8-12(13)10(4)7-9(2)3/h9-13H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-5,7-dimethyloctan-4-ol?
2-ethoxy-5,7-dimethyloctan-4-ol has a molecular weight of 202.34 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5,7-dimethyloctan-4-ol is sourced from PubChem (CID 134339583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).