3-ethyl-2-methylpentan-2-ol

C8H18O — CID 519706

IUPAC3-ethyl-2-methylpentan-2-ol
SMILESCCC(CC)C(C)(C)O
InChIInChI=1S/C8H18O/c1-5-7(6-2)8(3,4)9/h7,9H,5-6H2,1-4H3
InChIKeyFRUMTAZIGSJVOJ-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.19
Rot. Bonds3

About 3-ethyl-2-methylpentan-2-ol

3-ethyl-2-methylpentan-2-ol (PubChem CID 519706) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 3-ethyl-2-methylpentan-2-ol.

Molecular Properties

Compound Name3-ethyl-2-methylpentan-2-ol
PubChem CID519706
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name3-ethyl-2-methylpentan-2-ol
SMILESCCC(CC)C(C)(C)O
InChIInChI=1S/C8H18O/c1-5-7(6-2)8(3,4)9/h7,9H,5-6H2,1-4H3
InChIKeyFRUMTAZIGSJVOJ-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylpentan-2-ol?
The IUPAC name of 3-ethyl-2-methylpentan-2-ol (CID 519706) is 3-ethyl-2-methylpentan-2-ol.
What is the SMILES notation for 3-ethyl-2-methylpentan-2-ol?
The canonical SMILES for 3-ethyl-2-methylpentan-2-ol is CCC(CC)C(C)(C)O.
What is the InChIKey of 3-ethyl-2-methylpentan-2-ol?
The InChIKey is FRUMTAZIGSJVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-5-7(6-2)8(3,4)9/h7,9H,5-6H2,1-4H3.
What are the key properties of 3-ethyl-2-methylpentan-2-ol?
3-ethyl-2-methylpentan-2-ol has a molecular weight of 130.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylpentan-2-ol is sourced from PubChem (CID 519706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).