2-butoxybutan-1-ol

C8H18O2 — CID 21225521

IUPAC2-butoxybutan-1-ol
SMILESCCCCOC(CC)CO
InChIInChI=1S/C8H18O2/c1-3-5-6-10-8(4-2)7-9/h8-9H,3-7H2,1-2H3
InChIKeyBJZYYSAMLOBSDY-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.57
Rot. Bonds6

About 2-butoxybutan-1-ol

2-butoxybutan-1-ol (PubChem CID 21225521) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-butoxybutan-1-ol.

Molecular Properties

Compound Name2-butoxybutan-1-ol
PubChem CID21225521
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-butoxybutan-1-ol
SMILESCCCCOC(CC)CO
InChIInChI=1S/C8H18O2/c1-3-5-6-10-8(4-2)7-9/h8-9H,3-7H2,1-2H3
InChIKeyBJZYYSAMLOBSDY-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butoxybutan-1-ol?
The IUPAC name of 2-butoxybutan-1-ol (CID 21225521) is 2-butoxybutan-1-ol.
What is the SMILES notation for 2-butoxybutan-1-ol?
The canonical SMILES for 2-butoxybutan-1-ol is CCCCOC(CC)CO.
What is the InChIKey of 2-butoxybutan-1-ol?
The InChIKey is BJZYYSAMLOBSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-3-5-6-10-8(4-2)7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-butoxybutan-1-ol?
2-butoxybutan-1-ol has a molecular weight of 146.23 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxybutan-1-ol is sourced from PubChem (CID 21225521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).