oxane;prop-1-ene

C8H16O — CID 159114411

IUPACoxane;prop-1-ene
SMILESC1CCOCC1.C=CC
InChIInChI=1S/C5H10O.C3H6/c1-2-4-6-5-3-1;1-3-2/h1-5H2;3H,1H2,2H3
InChIKeyKEXBCZPQTVYXIV-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.38
Rot. Bonds

About oxane;prop-1-ene

oxane;prop-1-ene (PubChem CID 159114411) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is oxane;prop-1-ene.

Molecular Properties

Compound Nameoxane;prop-1-ene
PubChem CID159114411
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Nameoxane;prop-1-ene
SMILESC1CCOCC1.C=CC
InChIInChI=1S/C5H10O.C3H6/c1-2-4-6-5-3-1;1-3-2/h1-5H2;3H,1H2,2H3
InChIKeyKEXBCZPQTVYXIV-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.38
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

1-Butoxybutane;prop-1-ene
CID 22988873
1-Butoxybutane;bis(prop-1-ene)
CID 22988877
Dimethyl-(oxan-2-yl)-prop-2-enylsilane
CID 57077366
CID 87687876
CID 87687876
Buta-1,3-diene;1-pentoxypentane
CID 87924219
Ethane;methane;oxane;prop-1-ene
CID 143073800
4-Ethyloxane;prop-1-ene
CID 143091754
Ethane;ethene;oxane
CID 144175280
4-Methyloxane;prop-1-ene
CID 145155241
Methoxyethane;oxane;prop-1-ene
CID 145359295
(3R)-3-fluorooxane;prop-1-ene
CID 153566562
(3S)-3-fluorooxane;prop-1-ene
CID 153631013

Frequently Asked Questions

What is the IUPAC name of oxane;prop-1-ene?
The IUPAC name of oxane;prop-1-ene (CID 159114411) is oxane;prop-1-ene.
What is the SMILES notation for oxane;prop-1-ene?
The canonical SMILES for oxane;prop-1-ene is C1CCOCC1.C=CC.
What is the InChIKey of oxane;prop-1-ene?
The InChIKey is KEXBCZPQTVYXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C3H6/c1-2-4-6-5-3-1;1-3-2/h1-5H2;3H,1H2,2H3.
What are the key properties of oxane;prop-1-ene?
oxane;prop-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxane;prop-1-ene is sourced from PubChem (CID 159114411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).