4-ethyl-7,7-dimethyloctan-4-ol

C12H26O — CID 59856312

IUPAC4-ethyl-7,7-dimethyloctan-4-ol
SMILESCCCC(O)(CC)CCC(C)(C)C
InChIInChI=1S/C12H26O/c1-6-8-12(13,7-2)10-9-11(3,4)5/h13H,6-10H2,1-5H3
InChIKeyVCHYCNPEJQQIDP-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.75
Rot. Bonds5

About 4-ethyl-7,7-dimethyloctan-4-ol

4-ethyl-7,7-dimethyloctan-4-ol (PubChem CID 59856312) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 4-ethyl-7,7-dimethyloctan-4-ol.

Molecular Properties

Compound Name4-ethyl-7,7-dimethyloctan-4-ol
PubChem CID59856312
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name4-ethyl-7,7-dimethyloctan-4-ol
SMILESCCCC(O)(CC)CCC(C)(C)C
InChIInChI=1S/C12H26O/c1-6-8-12(13,7-2)10-9-11(3,4)5/h13H,6-10H2,1-5H3
InChIKeyVCHYCNPEJQQIDP-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,2-dimethylpentane;ethane;propane
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2,2-dimethylpentane;2,2-dimethylpropane;ethane;methane
CID 162070166
sodium;hydride;3-methylhexan-3-ol
CID 175384887
5-ethylnonane-1,5-diol
CID 87121663
sodium;3-ethylpentan-3-ol;hydride
CID 174311267
2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane
CID 157119351
cyclohexane;2,2-dimethylpentane;ethane
CID 162252162
4,6-diethylnonan-4-ol
CID 123321409
butane;propane-2,2-diol
CID 142587058

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7,7-dimethyloctan-4-ol?
The IUPAC name of 4-ethyl-7,7-dimethyloctan-4-ol (CID 59856312) is 4-ethyl-7,7-dimethyloctan-4-ol.
What is the SMILES notation for 4-ethyl-7,7-dimethyloctan-4-ol?
The canonical SMILES for 4-ethyl-7,7-dimethyloctan-4-ol is CCCC(O)(CC)CCC(C)(C)C.
What is the InChIKey of 4-ethyl-7,7-dimethyloctan-4-ol?
The InChIKey is VCHYCNPEJQQIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-6-8-12(13,7-2)10-9-11(3,4)5/h13H,6-10H2,1-5H3.
What are the key properties of 4-ethyl-7,7-dimethyloctan-4-ol?
4-ethyl-7,7-dimethyloctan-4-ol has a molecular weight of 186.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7,7-dimethyloctan-4-ol is sourced from PubChem (CID 59856312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).