3-ethyl-6,6-dimethyloctan-2-ol

C12H26O — CID 156689624

IUPAC3-ethyl-6,6-dimethyloctan-2-ol
SMILESCCC(CCC(C)(C)CC)C(C)O
InChIInChI=1S/C12H26O/c1-6-11(10(3)13)8-9-12(4,5)7-2/h10-11,13H,6-9H2,1-5H3
InChIKeyMSYIXKRLBPVAIU-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.61
Rot. Bonds6

About 3-ethyl-6,6-dimethyloctan-2-ol

3-ethyl-6,6-dimethyloctan-2-ol (PubChem CID 156689624) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 3-ethyl-6,6-dimethyloctan-2-ol.

Molecular Properties

Compound Name3-ethyl-6,6-dimethyloctan-2-ol
PubChem CID156689624
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name3-ethyl-6,6-dimethyloctan-2-ol
SMILESCCC(CCC(C)(C)CC)C(C)O
InChIInChI=1S/C12H26O/c1-6-11(10(3)13)8-9-12(4,5)7-2/h10-11,13H,6-9H2,1-5H3
InChIKeyMSYIXKRLBPVAIU-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 123845621
2,7,7-trimethylnonan-3-ol
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1,1-difluoro-4,4-dimethylhexane
CID 170227321
6,6-dimethyloctane-3-thiol
CID 166858494
6,6-dimethyloct-1-en-3-ol
CID 175204364
(3R,9S)-6,6-dimethylundecane-3,9-diol
CID 89346944
3,5-diethylheptane-2,5-diol
CID 114496696
(2S,3S)-2-ethylbutane-1,3-diol
CID 87152899
(2R,3R)-2-ethylbutane-1,3-diol
CID 130733536
2-(6,6-dimethyloctan-2-yloxy)-6,6-dimethyloctane
CID 57197870
(3R)-3-(aminomethyl)pentan-2-ol
CID 141325021
3,9-ditert-butyl-6,6-dimethylundecane-2,10-diol
CID 162768133

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,6-dimethyloctan-2-ol?
The IUPAC name of 3-ethyl-6,6-dimethyloctan-2-ol (CID 156689624) is 3-ethyl-6,6-dimethyloctan-2-ol.
What is the SMILES notation for 3-ethyl-6,6-dimethyloctan-2-ol?
The canonical SMILES for 3-ethyl-6,6-dimethyloctan-2-ol is CCC(CCC(C)(C)CC)C(C)O.
What is the InChIKey of 3-ethyl-6,6-dimethyloctan-2-ol?
The InChIKey is MSYIXKRLBPVAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-6-11(10(3)13)8-9-12(4,5)7-2/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 3-ethyl-6,6-dimethyloctan-2-ol?
3-ethyl-6,6-dimethyloctan-2-ol has a molecular weight of 186.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,6-dimethyloctan-2-ol is sourced from PubChem (CID 156689624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).