ethane-1,2-diol;ethoxyethane;prop-1-ene

C9H22O3 — CID 87195266

IUPACethane-1,2-diol;ethoxyethane;prop-1-ene
SMILESC=CC.CCOCC.OCCO
InChIInChI=1S/C4H10O.C3H6.C2H6O2/c1-3-5-4-2;1-3-2;3-1-2-4/h3-4H2,1-2H3;3H,1H2,2H3;3-4H,1-2H2
InChIKeyPLHOGLPBHJXDCJ-UHFFFAOYSA-N
MW178.27 g/mol
LogP1.21
Rot. Bonds3

About ethane-1,2-diol;ethoxyethane;prop-1-ene

ethane-1,2-diol;ethoxyethane;prop-1-ene (PubChem CID 87195266) has the molecular formula C9H22O3 and a molecular weight of 178.27 g/mol. Its IUPAC name is ethane-1,2-diol;ethoxyethane;prop-1-ene.

Molecular Properties

Compound Nameethane-1,2-diol;ethoxyethane;prop-1-ene
PubChem CID87195266
Molecular FormulaC9H22O3
Molecular Weight178.27 g/mol
Exact Mass178.16
IUPAC Nameethane-1,2-diol;ethoxyethane;prop-1-ene
SMILESC=CC.CCOCC.OCCO
InChIInChI=1S/C4H10O.C3H6.C2H6O2/c1-3-5-4-2;1-3-2;3-1-2-4/h3-4H2,1-2H3;3H,1H2,2H3;3-4H,1-2H2
InChIKeyPLHOGLPBHJXDCJ-UHFFFAOYSA-N
XLogP1.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethoxyethane;prop-1-ene?
The IUPAC name of ethane-1,2-diol;ethoxyethane;prop-1-ene (CID 87195266) is ethane-1,2-diol;ethoxyethane;prop-1-ene.
What is the SMILES notation for ethane-1,2-diol;ethoxyethane;prop-1-ene?
The canonical SMILES for ethane-1,2-diol;ethoxyethane;prop-1-ene is C=CC.CCOCC.OCCO.
What is the InChIKey of ethane-1,2-diol;ethoxyethane;prop-1-ene?
The InChIKey is PLHOGLPBHJXDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H6.C2H6O2/c1-3-5-4-2;1-3-2;3-1-2-4/h3-4H2,1-2H3;3H,1H2,2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethoxyethane;prop-1-ene?
ethane-1,2-diol;ethoxyethane;prop-1-ene has a molecular weight of 178.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethoxyethane;prop-1-ene is sourced from PubChem (CID 87195266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).