1-ethoxy-3,7-dimethyloctan-2-ol

C12H26O2 — CID 139596607

IUPAC1-ethoxy-3,7-dimethyloctan-2-ol
SMILESCCOCC(O)C(C)CCCC(C)C
InChIInChI=1S/C12H26O2/c1-5-14-9-12(13)11(4)8-6-7-10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyPKWZHQLZYHKNQG-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.85
Rot. Bonds8

About 1-ethoxy-3,7-dimethyloctan-2-ol

1-ethoxy-3,7-dimethyloctan-2-ol (PubChem CID 139596607) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-ethoxy-3,7-dimethyloctan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3,7-dimethyloctan-2-ol
PubChem CID139596607
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1-ethoxy-3,7-dimethyloctan-2-ol
SMILESCCOCC(O)C(C)CCCC(C)C
InChIInChI=1S/C12H26O2/c1-5-14-9-12(13)11(4)8-6-7-10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyPKWZHQLZYHKNQG-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3,7-dimethyloctan-2-ol?
The IUPAC name of 1-ethoxy-3,7-dimethyloctan-2-ol (CID 139596607) is 1-ethoxy-3,7-dimethyloctan-2-ol.
What is the SMILES notation for 1-ethoxy-3,7-dimethyloctan-2-ol?
The canonical SMILES for 1-ethoxy-3,7-dimethyloctan-2-ol is CCOCC(O)C(C)CCCC(C)C.
What is the InChIKey of 1-ethoxy-3,7-dimethyloctan-2-ol?
The InChIKey is PKWZHQLZYHKNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-14-9-12(13)11(4)8-6-7-10(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-ethoxy-3,7-dimethyloctan-2-ol?
1-ethoxy-3,7-dimethyloctan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,7-dimethyloctan-2-ol is sourced from PubChem (CID 139596607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).