2-butyloctan-1-ol

C12H26O — CID 19800

IUPAC2-butyloctan-1-ol
SMILESCCCCCCC(CO)CCCC
InChIInChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3
InChIKeyXMVBHZBLHNOQON-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.76
Rot. Bonds9

About 2-butyloctan-1-ol

2-butyloctan-1-ol (PubChem CID 19800) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-butyloctan-1-ol.

Molecular Properties

Compound Name2-butyloctan-1-ol
PubChem CID19800
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2-butyloctan-1-ol
SMILESCCCCCCC(CO)CCCC
InChIInChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3
InChIKeyXMVBHZBLHNOQON-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-butyloctan-1-ol?
The IUPAC name of 2-butyloctan-1-ol (CID 19800) is 2-butyloctan-1-ol.
What is the SMILES notation for 2-butyloctan-1-ol?
The canonical SMILES for 2-butyloctan-1-ol is CCCCCCC(CO)CCCC.
What is the InChIKey of 2-butyloctan-1-ol?
The InChIKey is XMVBHZBLHNOQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-butyloctan-1-ol?
2-butyloctan-1-ol has a molecular weight of 186.34 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyloctan-1-ol is sourced from PubChem (CID 19800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).