ethoxyethane;prop-1-ene

C7H16O — CID 22712887

IUPACethoxyethane;prop-1-ene
SMILESC=CC.CCOCC
InChIInChI=1S/C4H10O.C3H6/c1-3-5-4-2;1-3-2/h3-4H2,1-2H3;3H,1H2,2H3
InChIKeyVWKXGMKCJVRXNW-UHFFFAOYSA-N
MW116.20 g/mol
LogP2.24
Rot. Bonds2

About ethoxyethane;prop-1-ene

ethoxyethane;prop-1-ene (PubChem CID 22712887) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is ethoxyethane;prop-1-ene.

Molecular Properties

Compound Nameethoxyethane;prop-1-ene
PubChem CID22712887
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Nameethoxyethane;prop-1-ene
SMILESC=CC.CCOCC
InChIInChI=1S/C4H10O.C3H6/c1-3-5-4-2;1-3-2/h3-4H2,1-2H3;3H,1H2,2H3
InChIKeyVWKXGMKCJVRXNW-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.20
LogP ≤ 52.24
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

bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)
CID 173332144
ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 87195266
buta-1,3-diene;ethoxyethane
CID 18964357
acetic acid;ethoxyethane;prop-1-ene
CID 87985609
ethoxyethane;fluoroethene
CID 87329841
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethoxyethane;2-methoxyethanol;bis(prop-1-ene)
CID 173293108
3-chloroprop-1-ene;ethoxyethane
CID 88697114
ethoxyethane;formaldehyde
CID 174286087
ethoxyethane;hydrate
CID 22594236
ethoxyethane;pentahydrate
CID 141041283

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;prop-1-ene?
The IUPAC name of ethoxyethane;prop-1-ene (CID 22712887) is ethoxyethane;prop-1-ene.
What is the SMILES notation for ethoxyethane;prop-1-ene?
The canonical SMILES for ethoxyethane;prop-1-ene is C=CC.CCOCC.
What is the InChIKey of ethoxyethane;prop-1-ene?
The InChIKey is VWKXGMKCJVRXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H6/c1-3-5-4-2;1-3-2/h3-4H2,1-2H3;3H,1H2,2H3.
What are the key properties of ethoxyethane;prop-1-ene?
ethoxyethane;prop-1-ene has a molecular weight of 116.20 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;prop-1-ene is sourced from PubChem (CID 22712887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).