5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol

C12H26O3 — CID 116752304

IUPAC5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol
SMILESCCOC(C)(CC)C(O)C(C)CCOC
InChIInChI=1S/C12H26O3/c1-6-12(4,15-7-2)11(13)10(3)8-9-14-5/h10-11,13H,6-9H2,1-5H3
InChIKeyZFVJQQCYYNZXTG-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.23
Rot. Bonds8

About 5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol

5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol (PubChem CID 116752304) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol.

Molecular Properties

Compound Name5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol
PubChem CID116752304
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol
SMILESCCOC(C)(CC)C(O)C(C)CCOC
InChIInChI=1S/C12H26O3/c1-6-12(4,15-7-2)11(13)10(3)8-9-14-5/h10-11,13H,6-9H2,1-5H3
InChIKeyZFVJQQCYYNZXTG-UHFFFAOYSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethoxy-3,5-dimethylheptan-4-ol
CID 116752012
3-ethoxy-3-methylheptan-4-amine
CID 116758519
1,5-dimethoxy-3,6,6-trimethylheptan-4-ol
CID 116713153
5-ethoxy-5-ethyl-1-methoxyheptan-4-ol
CID 114855109
5-ethyl-7-methoxy-5-methylheptan-2-ol
CID 123828259
3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol
CID 90834044
2-tert-butyl-5-methoxy-3-methylpentan-1-ol
CID 116500263
1-cyclopropyl-4-ethoxy-4-methylhexan-3-ol
CID 116752325
2-ethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114645742
1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol
CID 116752277
4-hydrazinyl-7-methoxy-N,N,3,5-tetramethylheptan-3-amine
CID 105240456
(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol
CID 125471550

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol?
The IUPAC name of 5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol (CID 116752304) is 5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol.
What is the SMILES notation for 5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol?
The canonical SMILES for 5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol is CCOC(C)(CC)C(O)C(C)CCOC.
What is the InChIKey of 5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol?
The InChIKey is ZFVJQQCYYNZXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-6-12(4,15-7-2)11(13)10(3)8-9-14-5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol?
5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol has a molecular weight of 218.34 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-methoxy-3,5-dimethylheptan-4-ol is sourced from PubChem (CID 116752304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).