1-[1-(3-methylbutoxy)ethoxy]pentane

C12H26O2 — CID 53428150

IUPAC1-[1-(3-methylbutoxy)ethoxy]pentane
SMILESCCCCCOC(C)OCCC(C)C
InChIInChI=1S/C12H26O2/c1-5-6-7-9-13-12(4)14-10-8-11(2)3/h11-12H,5-10H2,1-4H3
InChIKeyZDXAJQYVODZHIO-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.60
Rot. Bonds9

About 1-[1-(3-methylbutoxy)ethoxy]pentane

1-[1-(3-methylbutoxy)ethoxy]pentane (PubChem CID 53428150) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-[1-(3-methylbutoxy)ethoxy]pentane.

Molecular Properties

Compound Name1-[1-(3-methylbutoxy)ethoxy]pentane
PubChem CID53428150
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1-[1-(3-methylbutoxy)ethoxy]pentane
SMILESCCCCCOC(C)OCCC(C)C
InChIInChI=1S/C12H26O2/c1-5-6-7-9-13-12(4)14-10-8-11(2)3/h11-12H,5-10H2,1-4H3
InChIKeyZDXAJQYVODZHIO-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbutoxy)ethoxy]pentane?
The IUPAC name of 1-[1-(3-methylbutoxy)ethoxy]pentane (CID 53428150) is 1-[1-(3-methylbutoxy)ethoxy]pentane.
What is the SMILES notation for 1-[1-(3-methylbutoxy)ethoxy]pentane?
The canonical SMILES for 1-[1-(3-methylbutoxy)ethoxy]pentane is CCCCCOC(C)OCCC(C)C.
What is the InChIKey of 1-[1-(3-methylbutoxy)ethoxy]pentane?
The InChIKey is ZDXAJQYVODZHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-6-7-9-13-12(4)14-10-8-11(2)3/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-[1-(3-methylbutoxy)ethoxy]pentane?
1-[1-(3-methylbutoxy)ethoxy]pentane has a molecular weight of 202.34 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbutoxy)ethoxy]pentane is sourced from PubChem (CID 53428150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).