3-(2-methylbutoxy)pentan-3-ol

C10H22O2 — CID 173179905

IUPAC3-(2-methylbutoxy)pentan-3-ol
SMILESCCC(C)COC(O)(CC)CC
InChIInChI=1S/C10H22O2/c1-5-9(4)8-12-10(11,6-2)7-3/h9,11H,5-8H2,1-4H3
InChIKeyFUELZKCFMLHIPT-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.56
Rot. Bonds6

About 3-(2-methylbutoxy)pentan-3-ol

3-(2-methylbutoxy)pentan-3-ol (PubChem CID 173179905) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3-(2-methylbutoxy)pentan-3-ol.

Molecular Properties

Compound Name3-(2-methylbutoxy)pentan-3-ol
PubChem CID173179905
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3-(2-methylbutoxy)pentan-3-ol
SMILESCCC(C)COC(O)(CC)CC
InChIInChI=1S/C10H22O2/c1-5-9(4)8-12-10(11,6-2)7-3/h9,11H,5-8H2,1-4H3
InChIKeyFUELZKCFMLHIPT-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutoxy)pentan-3-ol?
The IUPAC name of 3-(2-methylbutoxy)pentan-3-ol (CID 173179905) is 3-(2-methylbutoxy)pentan-3-ol.
What is the SMILES notation for 3-(2-methylbutoxy)pentan-3-ol?
The canonical SMILES for 3-(2-methylbutoxy)pentan-3-ol is CCC(C)COC(O)(CC)CC.
What is the InChIKey of 3-(2-methylbutoxy)pentan-3-ol?
The InChIKey is FUELZKCFMLHIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-9(4)8-12-10(11,6-2)7-3/h9,11H,5-8H2,1-4H3.
What are the key properties of 3-(2-methylbutoxy)pentan-3-ol?
3-(2-methylbutoxy)pentan-3-ol has a molecular weight of 174.28 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutoxy)pentan-3-ol is sourced from PubChem (CID 173179905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).