3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol

C14H30O3 — CID 155151234

IUPAC3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol
SMILESCCOC(C)(CC)CCOC(C)(CC)CCO
InChIInChI=1S/C14H30O3/c1-6-13(4,9-11-15)17-12-10-14(5,7-2)16-8-3/h15H,6-12H2,1-5H3
InChIKeyCLSTYLQUVGJECY-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.15
Rot. Bonds10

About 3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol

3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol (PubChem CID 155151234) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol
PubChem CID155151234
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol
SMILESCCOC(C)(CC)CCOC(C)(CC)CCO
InChIInChI=1S/C14H30O3/c1-6-13(4,9-11-15)17-12-10-14(5,7-2)16-8-3/h15H,6-12H2,1-5H3
InChIKeyCLSTYLQUVGJECY-UHFFFAOYSA-N
XLogP3.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol?
The IUPAC name of 3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol (CID 155151234) is 3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol?
The canonical SMILES for 3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol is CCOC(C)(CC)CCOC(C)(CC)CCO.
What is the InChIKey of 3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol?
The InChIKey is CLSTYLQUVGJECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-6-13(4,9-11-15)17-12-10-14(5,7-2)16-8-3/h15H,6-12H2,1-5H3.
What are the key properties of 3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol?
3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol is sourced from PubChem (CID 155151234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).