4-ethyloxane;prop-1-ene

C10H20O — CID 143091754

IUPAC4-ethyloxane;prop-1-ene
SMILESC=CC.CCC1CCOCC1
InChIInChI=1S/C7H14O.C3H6/c1-2-7-3-5-8-6-4-7;1-3-2/h7H,2-6H2,1H3;3H,1H2,2H3
InChIKeyJXTAEZVHIGWJTI-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.02
Rot. Bonds1

About 4-ethyloxane;prop-1-ene

4-ethyloxane;prop-1-ene (PubChem CID 143091754) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-ethyloxane;prop-1-ene.

Molecular Properties

Compound Name4-ethyloxane;prop-1-ene
PubChem CID143091754
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name4-ethyloxane;prop-1-ene
SMILESC=CC.CCC1CCOCC1
InChIInChI=1S/C7H14O.C3H6/c1-2-7-3-5-8-6-4-7;1-3-2/h7H,2-6H2,1H3;3H,1H2,2H3
InChIKeyJXTAEZVHIGWJTI-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-1-prop-2-enoxypentane
CID 23533124
4-Allyltetrahydro-2H-pyran
CID 58023197
4-But-3-en-2-yloxane
CID 142887927
Ethane;methane;oxane;prop-1-ene
CID 143073800
Ethane;4-ethenyloxane
CID 143725048
Ethane;4-propa-1,2-dienyloxane
CID 143862152
Ethene;4-methyloxane
CID 144143579
4-Methyloxane;prop-1-ene
CID 145155241
Methoxyethane;oxane;prop-1-ene
CID 145359295
Oxane;prop-1-ene
CID 159114411
Ethane;ethene;4-methyloxane
CID 168913092
4-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603447

Frequently Asked Questions

What is the IUPAC name of 4-ethyloxane;prop-1-ene?
The IUPAC name of 4-ethyloxane;prop-1-ene (CID 143091754) is 4-ethyloxane;prop-1-ene.
What is the SMILES notation for 4-ethyloxane;prop-1-ene?
The canonical SMILES for 4-ethyloxane;prop-1-ene is C=CC.CCC1CCOCC1.
What is the InChIKey of 4-ethyloxane;prop-1-ene?
The InChIKey is JXTAEZVHIGWJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C3H6/c1-2-7-3-5-8-6-4-7;1-3-2/h7H,2-6H2,1H3;3H,1H2,2H3.
What are the key properties of 4-ethyloxane;prop-1-ene?
4-ethyloxane;prop-1-ene has a molecular weight of 156.27 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloxane;prop-1-ene is sourced from PubChem (CID 143091754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).