3-ethoxy-2,2-dimethyloctan-4-ol

C12H26O2 — CID 116713329

IUPAC3-ethoxy-2,2-dimethyloctan-4-ol
SMILESCCCCC(O)C(OCC)C(C)(C)C
InChIInChI=1S/C12H26O2/c1-6-8-9-10(13)11(14-7-2)12(3,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyYJYJBRGJQZGHQY-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.99
Rot. Bonds6

About 3-ethoxy-2,2-dimethyloctan-4-ol

3-ethoxy-2,2-dimethyloctan-4-ol (PubChem CID 116713329) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyloctan-4-ol.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyloctan-4-ol
PubChem CID116713329
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3-ethoxy-2,2-dimethyloctan-4-ol
SMILESCCCCC(O)C(OCC)C(C)(C)C
InChIInChI=1S/C12H26O2/c1-6-8-9-10(13)11(14-7-2)12(3,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyYJYJBRGJQZGHQY-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-2,2-dimethyldecan-4-ol
CID 116713288
1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol
CID 116713486
3-ethoxy-4,4-dimethyl-1-propoxypentan-2-ol
CID 116713479
(3S)-4-ethoxy-5,5-dimethylhexan-3-amine
CID 104932287
3-(1-ethoxypropyl)-2-methylheptan-2-ol
CID 156560648
3-ethoxy-2,2,7-trimethyloctan-4-amine
CID 116725152
4-ethoxydodecan-5-ol
CID 116711346
2,2-dimethylhexadecane-3,4-diol
CID 103457111
(3S,4S)-octane-3,4-diol
CID 132990515
5-ethoxynonane
CID 91187482
3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine
CID 116726022
(3S)-3-ethoxy-2-methylheptane
CID 3086090

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyloctan-4-ol?
The IUPAC name of 3-ethoxy-2,2-dimethyloctan-4-ol (CID 116713329) is 3-ethoxy-2,2-dimethyloctan-4-ol.
What is the SMILES notation for 3-ethoxy-2,2-dimethyloctan-4-ol?
The canonical SMILES for 3-ethoxy-2,2-dimethyloctan-4-ol is CCCCC(O)C(OCC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyloctan-4-ol?
The InChIKey is YJYJBRGJQZGHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-6-8-9-10(13)11(14-7-2)12(3,4)5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 3-ethoxy-2,2-dimethyloctan-4-ol?
3-ethoxy-2,2-dimethyloctan-4-ol has a molecular weight of 202.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyloctan-4-ol is sourced from PubChem (CID 116713329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).