1-(2-butoxyethoxy)hexane

C12H26O2 — CID 22002879

IUPAC1-(2-butoxyethoxy)hexane
SMILESCCCCCCOCCOCCCC
InChIInChI=1S/C12H26O2/c1-3-5-7-8-10-14-12-11-13-9-6-4-2/h3-12H2,1-2H3
InChIKeyRDDODAXLAHBAMG-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.40
Rot. Bonds11

About 1-(2-butoxyethoxy)hexane

1-(2-butoxyethoxy)hexane (PubChem CID 22002879) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)hexane.

Molecular Properties

Compound Name1-(2-butoxyethoxy)hexane
PubChem CID22002879
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1-(2-butoxyethoxy)hexane
SMILESCCCCCCOCCOCCCC
InChIInChI=1S/C12H26O2/c1-3-5-7-8-10-14-12-11-13-9-6-4-2/h3-12H2,1-2H3
InChIKeyRDDODAXLAHBAMG-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
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 1-(2-butoxyethoxy)hexane?
The IUPAC name of 1-(2-butoxyethoxy)hexane (CID 22002879) is 1-(2-butoxyethoxy)hexane.
What is the SMILES notation for 1-(2-butoxyethoxy)hexane?
The canonical SMILES for 1-(2-butoxyethoxy)hexane is CCCCCCOCCOCCCC.
What is the InChIKey of 1-(2-butoxyethoxy)hexane?
The InChIKey is RDDODAXLAHBAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-3-5-7-8-10-14-12-11-13-9-6-4-2/h3-12H2,1-2H3.
What are the key properties of 1-(2-butoxyethoxy)hexane?
1-(2-butoxyethoxy)hexane has a molecular weight of 202.34 g/mol, XLogP of 3.40, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)hexane is sourced from PubChem (CID 22002879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).