1,5-diethoxypentane

C9H20O2 — CID 22399978

IUPAC1,5-diethoxypentane
SMILESCCOCCCCCOCC
InChIInChI=1S/C9H20O2/c1-3-10-8-6-5-7-9-11-4-2/h3-9H2,1-2H3
InChIKeyNSLVQPIAOXUOQD-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.23
Rot. Bonds8

About 1,5-diethoxypentane

1,5-diethoxypentane (PubChem CID 22399978) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,5-diethoxypentane.

Molecular Properties

Compound Name1,5-diethoxypentane
PubChem CID22399978
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1,5-diethoxypentane
SMILESCCOCCCCCOCC
InChIInChI=1S/C9H20O2/c1-3-10-8-6-5-7-9-11-4-2/h3-9H2,1-2H3
InChIKeyNSLVQPIAOXUOQD-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.23
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 1,5-diethoxypentane?
The IUPAC name of 1,5-diethoxypentane (CID 22399978) is 1,5-diethoxypentane.
What is the SMILES notation for 1,5-diethoxypentane?
The canonical SMILES for 1,5-diethoxypentane is CCOCCCCCOCC.
What is the InChIKey of 1,5-diethoxypentane?
The InChIKey is NSLVQPIAOXUOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-3-10-8-6-5-7-9-11-4-2/h3-9H2,1-2H3.
What are the key properties of 1,5-diethoxypentane?
1,5-diethoxypentane has a molecular weight of 160.26 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethoxypentane is sourced from PubChem (CID 22399978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).