3-ethyl-3-methoxypentan-1-ol

C8H18O2 — CID 18427202

IUPAC3-ethyl-3-methoxypentan-1-ol
SMILESCCC(CC)(CCO)OC
InChIInChI=1S/C8H18O2/c1-4-8(5-2,10-3)6-7-9/h9H,4-7H2,1-3H3
InChIKeyKCUKYLXMBJRXOE-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.57
Rot. Bonds5

About 3-ethyl-3-methoxypentan-1-ol

3-ethyl-3-methoxypentan-1-ol (PubChem CID 18427202) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 3-ethyl-3-methoxypentan-1-ol.

Molecular Properties

Compound Name3-ethyl-3-methoxypentan-1-ol
PubChem CID18427202
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name3-ethyl-3-methoxypentan-1-ol
SMILESCCC(CC)(CCO)OC
InChIInChI=1S/C8H18O2/c1-4-8(5-2,10-3)6-7-9/h9H,4-7H2,1-3H3
InChIKeyKCUKYLXMBJRXOE-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxypentan-1-ol?
The IUPAC name of 3-ethyl-3-methoxypentan-1-ol (CID 18427202) is 3-ethyl-3-methoxypentan-1-ol.
What is the SMILES notation for 3-ethyl-3-methoxypentan-1-ol?
The canonical SMILES for 3-ethyl-3-methoxypentan-1-ol is CCC(CC)(CCO)OC.
What is the InChIKey of 3-ethyl-3-methoxypentan-1-ol?
The InChIKey is KCUKYLXMBJRXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-4-8(5-2,10-3)6-7-9/h9H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-3-methoxypentan-1-ol?
3-ethyl-3-methoxypentan-1-ol has a molecular weight of 146.23 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxypentan-1-ol is sourced from PubChem (CID 18427202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).