3-ethyl-1-propoxypentane

C10H22O — CID 22002854

IUPAC3-ethyl-1-propoxypentane
SMILESCCCOCCC(CC)CC
InChIInChI=1S/C10H22O/c1-4-8-11-9-7-10(5-2)6-3/h10H,4-9H2,1-3H3
InChIKeyZDZYPZYSGVSEKE-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds7

About 3-ethyl-1-propoxypentane

3-ethyl-1-propoxypentane (PubChem CID 22002854) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3-ethyl-1-propoxypentane.

Molecular Properties

Compound Name3-ethyl-1-propoxypentane
PubChem CID22002854
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3-ethyl-1-propoxypentane
SMILESCCCOCCC(CC)CC
InChIInChI=1S/C10H22O/c1-4-8-11-9-7-10(5-2)6-3/h10H,4-9H2,1-3H3
InChIKeyZDZYPZYSGVSEKE-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-ethyl-1-propoxypentane?
The IUPAC name of 3-ethyl-1-propoxypentane (CID 22002854) is 3-ethyl-1-propoxypentane.
What is the SMILES notation for 3-ethyl-1-propoxypentane?
The canonical SMILES for 3-ethyl-1-propoxypentane is CCCOCCC(CC)CC.
What is the InChIKey of 3-ethyl-1-propoxypentane?
The InChIKey is ZDZYPZYSGVSEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-4-8-11-9-7-10(5-2)6-3/h10H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-1-propoxypentane?
3-ethyl-1-propoxypentane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propoxypentane is sourced from PubChem (CID 22002854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).