3-ethyl-1-prop-2-enoxypentane

C10H20O — CID 23533124

IUPAC3-ethyl-1-prop-2-enoxypentane
SMILESC=CCOCCC(CC)CC
InChIInChI=1S/C10H20O/c1-4-8-11-9-7-10(5-2)6-3/h4,10H,1,5-9H2,2-3H3
InChIKeyGUQDTBCIFNGZMC-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.02
Rot. Bonds7

About 3-ethyl-1-prop-2-enoxypentane

3-ethyl-1-prop-2-enoxypentane (PubChem CID 23533124) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-ethyl-1-prop-2-enoxypentane.

Molecular Properties

Compound Name3-ethyl-1-prop-2-enoxypentane
PubChem CID23533124
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-ethyl-1-prop-2-enoxypentane
SMILESC=CCOCCC(CC)CC
InChIInChI=1S/C10H20O/c1-4-8-11-9-7-10(5-2)6-3/h4,10H,1,5-9H2,2-3H3
InChIKeyGUQDTBCIFNGZMC-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-ethyl-1-prop-2-enoxypentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Allyl pentyl ether
CID 141011
(2-Methylbutyl)allyl ether
CID 13315701
3-(Prop-2-enoxymethyl)heptane
CID 3530837
3-Methyl-1-prop-2-enoxybutane
CID 14297065
3-Methyl-3-prop-2-enoxypentane
CID 20283469
2,4-Dimethyl-2-prop-2-enoxypentane
CID 22952863
1-Prop-2-enoxy-2-(prop-2-enoxymethyl)butane
CID 57159549
3-(Prop-2-enoxymethyl)pentane
CID 57969485
4-Ethoxy-2-methyl-1-prop-2-enoxybutane
CID 58604157
4-Methyl-1-prop-2-enoxypentane
CID 58820697
3-Ethyl-3-(prop-2-enoxymethyl)pentane
CID 59163667
2,3,4-Trimethyl-1-prop-2-enoxyhexane
CID 59163674

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-prop-2-enoxypentane?
The IUPAC name of 3-ethyl-1-prop-2-enoxypentane (CID 23533124) is 3-ethyl-1-prop-2-enoxypentane.
What is the SMILES notation for 3-ethyl-1-prop-2-enoxypentane?
The canonical SMILES for 3-ethyl-1-prop-2-enoxypentane is C=CCOCCC(CC)CC.
What is the InChIKey of 3-ethyl-1-prop-2-enoxypentane?
The InChIKey is GUQDTBCIFNGZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-8-11-9-7-10(5-2)6-3/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 3-ethyl-1-prop-2-enoxypentane?
3-ethyl-1-prop-2-enoxypentane has a molecular weight of 156.27 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-prop-2-enoxypentane is sourced from PubChem (CID 23533124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).