2-ethoxy-2,5-dimethylheptan-3-ol

C11H24O2 — CID 116713772

IUPAC2-ethoxy-2,5-dimethylheptan-3-ol
SMILESCCOC(C)(C)C(O)CC(C)CC
InChIInChI=1S/C11H24O2/c1-6-9(3)8-10(12)11(4,5)13-7-2/h9-10,12H,6-8H2,1-5H3
InChIKeyOMERDGDEKZJHLQ-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.60
Rot. Bonds6

About 2-ethoxy-2,5-dimethylheptan-3-ol

2-ethoxy-2,5-dimethylheptan-3-ol (PubChem CID 116713772) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-ethoxy-2,5-dimethylheptan-3-ol.

Molecular Properties

Compound Name2-ethoxy-2,5-dimethylheptan-3-ol
PubChem CID116713772
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2-ethoxy-2,5-dimethylheptan-3-ol
SMILESCCOC(C)(C)C(O)CC(C)CC
InChIInChI=1S/C11H24O2/c1-6-9(3)8-10(12)11(4,5)13-7-2/h9-10,12H,6-8H2,1-5H3
InChIKeyOMERDGDEKZJHLQ-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-2,2,5-trimethylheptan-3-ol
CID 91117012
3,3-diethyl-6-methyloctan-4-ol
CID 156689721
1-(2,3,5-trimethylheptan-2-yloxy)propan-2-ol
CID 142712581
ethane;2-ethoxy-2,3-dimethylbutane
CID 169190788
3-ethoxy-3-ethyl-6-methylnonan-4-ol
CID 116752611
3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol
CID 129311438
1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol
CID 116713582
3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine
CID 116759157
1,1,1-triethoxypropan-2-ol
CID 87156976
(3S)-1-amino-3-methylpentan-1-ol
CID 89066496
3,4,5,6,8-pentamethyldecane
CID 123810037
(4S)-1-hydroperoxy-2-(hydroperoxymethyl)-4-methylhexane
CID 59874861

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2,5-dimethylheptan-3-ol?
The IUPAC name of 2-ethoxy-2,5-dimethylheptan-3-ol (CID 116713772) is 2-ethoxy-2,5-dimethylheptan-3-ol.
What is the SMILES notation for 2-ethoxy-2,5-dimethylheptan-3-ol?
The canonical SMILES for 2-ethoxy-2,5-dimethylheptan-3-ol is CCOC(C)(C)C(O)CC(C)CC.
What is the InChIKey of 2-ethoxy-2,5-dimethylheptan-3-ol?
The InChIKey is OMERDGDEKZJHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-6-9(3)8-10(12)11(4,5)13-7-2/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-2,5-dimethylheptan-3-ol?
2-ethoxy-2,5-dimethylheptan-3-ol has a molecular weight of 188.31 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,5-dimethylheptan-3-ol is sourced from PubChem (CID 116713772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).