1-butoxy-5-methoxypentane

C10H22O2 — CID 123596368

IUPAC1-butoxy-5-methoxypentane
SMILESCCCCOCCCCCOC
InChIInChI=1S/C10H22O2/c1-3-4-9-12-10-7-5-6-8-11-2/h3-10H2,1-2H3
InChIKeyYMKQUMBVZYDUGJ-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.62
Rot. Bonds9

About 1-butoxy-5-methoxypentane

1-butoxy-5-methoxypentane (PubChem CID 123596368) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-butoxy-5-methoxypentane.

Molecular Properties

Compound Name1-butoxy-5-methoxypentane
PubChem CID123596368
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1-butoxy-5-methoxypentane
SMILESCCCCOCCCCCOC
InChIInChI=1S/C10H22O2/c1-3-4-9-12-10-7-5-6-8-11-2/h3-10H2,1-2H3
InChIKeyYMKQUMBVZYDUGJ-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.62
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-butoxy-5-methoxypentane?
The IUPAC name of 1-butoxy-5-methoxypentane (CID 123596368) is 1-butoxy-5-methoxypentane.
What is the SMILES notation for 1-butoxy-5-methoxypentane?
The canonical SMILES for 1-butoxy-5-methoxypentane is CCCCOCCCCCOC.
What is the InChIKey of 1-butoxy-5-methoxypentane?
The InChIKey is YMKQUMBVZYDUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-3-4-9-12-10-7-5-6-8-11-2/h3-10H2,1-2H3.
What are the key properties of 1-butoxy-5-methoxypentane?
1-butoxy-5-methoxypentane has a molecular weight of 174.28 g/mol, XLogP of 2.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-5-methoxypentane is sourced from PubChem (CID 123596368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).