1-(pentoxymethoxy)pentane

C11H24O2 — CID 12573376

IUPAC1-(pentoxymethoxy)pentane
SMILESCCCCCOCOCCCCC
InChIInChI=1S/C11H24O2/c1-3-5-7-9-12-11-13-10-8-6-4-2/h3-11H2,1-2H3
InChIKeyHOHHGINUXNVGIT-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.36
Rot. Bonds10

About 1-(pentoxymethoxy)pentane

1-(pentoxymethoxy)pentane (PubChem CID 12573376) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(pentoxymethoxy)pentane.

Molecular Properties

Compound Name1-(pentoxymethoxy)pentane
PubChem CID12573376
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-(pentoxymethoxy)pentane
SMILESCCCCCOCOCCCCC
InChIInChI=1S/C11H24O2/c1-3-5-7-9-12-11-13-10-8-6-4-2/h3-11H2,1-2H3
InChIKeyHOHHGINUXNVGIT-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.36
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-(pentoxymethoxy)pentane?
The IUPAC name of 1-(pentoxymethoxy)pentane (CID 12573376) is 1-(pentoxymethoxy)pentane.
What is the SMILES notation for 1-(pentoxymethoxy)pentane?
The canonical SMILES for 1-(pentoxymethoxy)pentane is CCCCCOCOCCCCC.
What is the InChIKey of 1-(pentoxymethoxy)pentane?
The InChIKey is HOHHGINUXNVGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-3-5-7-9-12-11-13-10-8-6-4-2/h3-11H2,1-2H3.
What are the key properties of 1-(pentoxymethoxy)pentane?
1-(pentoxymethoxy)pentane has a molecular weight of 188.31 g/mol, XLogP of 3.36, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentoxymethoxy)pentane is sourced from PubChem (CID 12573376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).