1-(2-methylbutan-2-yloxy)hexan-1-ol

C11H24O2 — CID 56993181

IUPAC1-(2-methylbutan-2-yloxy)hexan-1-ol
SMILESCCCCCC(O)OC(C)(C)CC
InChIInChI=1S/C11H24O2/c1-5-7-8-9-10(12)13-11(3,4)6-2/h10,12H,5-9H2,1-4H3
InChIKeyLVCCLCADAHFOEM-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.09
Rot. Bonds7

About 1-(2-methylbutan-2-yloxy)hexan-1-ol

1-(2-methylbutan-2-yloxy)hexan-1-ol (PubChem CID 56993181) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yloxy)hexan-1-ol.

Molecular Properties

Compound Name1-(2-methylbutan-2-yloxy)hexan-1-ol
PubChem CID56993181
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-(2-methylbutan-2-yloxy)hexan-1-ol
SMILESCCCCCC(O)OC(C)(C)CC
InChIInChI=1S/C11H24O2/c1-5-7-8-9-10(12)13-11(3,4)6-2/h10,12H,5-9H2,1-4H3
InChIKeyLVCCLCADAHFOEM-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methylbutan-2-yloxy)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yloxy)hexan-1-ol?
The IUPAC name of 1-(2-methylbutan-2-yloxy)hexan-1-ol (CID 56993181) is 1-(2-methylbutan-2-yloxy)hexan-1-ol.
What is the SMILES notation for 1-(2-methylbutan-2-yloxy)hexan-1-ol?
The canonical SMILES for 1-(2-methylbutan-2-yloxy)hexan-1-ol is CCCCCC(O)OC(C)(C)CC.
What is the InChIKey of 1-(2-methylbutan-2-yloxy)hexan-1-ol?
The InChIKey is LVCCLCADAHFOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-7-8-9-10(12)13-11(3,4)6-2/h10,12H,5-9H2,1-4H3.
What are the key properties of 1-(2-methylbutan-2-yloxy)hexan-1-ol?
1-(2-methylbutan-2-yloxy)hexan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yloxy)hexan-1-ol is sourced from PubChem (CID 56993181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).