ethane;methane;oxane;prop-1-ene

C11H26O — CID 143073800

IUPACethane;methane;oxane;prop-1-ene
SMILESC.C1CCOCC1.C=CC.CC
InChIInChI=1S/C5H10O.C3H6.C2H6.CH4/c1-2-4-6-5-3-1;1-3-2;1-2;/h1-5H2;3H,1H2,2H3;1-2H3;1H4
InChIKeyPXPCXFNTGXIALC-UHFFFAOYSA-N
MW174.33 g/mol
LogP4.04
Rot. Bonds

About ethane;methane;oxane;prop-1-ene

ethane;methane;oxane;prop-1-ene (PubChem CID 143073800) has the molecular formula C11H26O and a molecular weight of 174.33 g/mol. Its IUPAC name is ethane;methane;oxane;prop-1-ene.

Molecular Properties

Compound Nameethane;methane;oxane;prop-1-ene
PubChem CID143073800
Molecular FormulaC11H26O
Molecular Weight174.33 g/mol
Exact Mass174.20
IUPAC Nameethane;methane;oxane;prop-1-ene
SMILESC.C1CCOCC1.C=CC.CC
InChIInChI=1S/C5H10O.C3H6.C2H6.CH4/c1-2-4-6-5-3-1;1-3-2;1-2;/h1-5H2;3H,1H2,2H3;1-2H3;1H4
InChIKeyPXPCXFNTGXIALC-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 54.04
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
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
Buta-1,3-diene;oxane
CID 155146683

Frequently Asked Questions

What is the IUPAC name of ethane;methane;oxane;prop-1-ene?
The IUPAC name of ethane;methane;oxane;prop-1-ene (CID 143073800) is ethane;methane;oxane;prop-1-ene.
What is the SMILES notation for ethane;methane;oxane;prop-1-ene?
The canonical SMILES for ethane;methane;oxane;prop-1-ene is C.C1CCOCC1.C=CC.CC.
What is the InChIKey of ethane;methane;oxane;prop-1-ene?
The InChIKey is PXPCXFNTGXIALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C3H6.C2H6.CH4/c1-2-4-6-5-3-1;1-3-2;1-2;/h1-5H2;3H,1H2,2H3;1-2H3;1H4.
What are the key properties of ethane;methane;oxane;prop-1-ene?
ethane;methane;oxane;prop-1-ene has a molecular weight of 174.33 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;oxane;prop-1-ene is sourced from PubChem (CID 143073800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).