ethane-1,2-diol;bis(prop-1-ene)

C8H18O2 — CID 87058044

IUPACethane-1,2-diol;bis(prop-1-ene)
SMILESC=CC.C=CC.OCCO
InChIInChI=1S/2C3H6.C2H6O2/c2*1-3-2;3-1-2-4/h2*3H,1H2,2H3;3-4H,1-2H2
InChIKeyMVKYQTGCKJXECD-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.36
Rot. Bonds1

About ethane-1,2-diol;bis(prop-1-ene)

ethane-1,2-diol;bis(prop-1-ene) (PubChem CID 87058044) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is ethane-1,2-diol;bis(prop-1-ene).

Molecular Properties

Compound Nameethane-1,2-diol;bis(prop-1-ene)
PubChem CID87058044
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Nameethane-1,2-diol;bis(prop-1-ene)
SMILESC=CC.C=CC.OCCO
InChIInChI=1S/2C3H6.C2H6O2/c2*1-3-2;3-1-2-4/h2*3H,1H2,2H3;3-4H,1-2H2
InChIKeyMVKYQTGCKJXECD-UHFFFAOYSA-N
XLogP1.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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;bis(prop-1-ene)?
The IUPAC name of ethane-1,2-diol;bis(prop-1-ene) (CID 87058044) is ethane-1,2-diol;bis(prop-1-ene).
What is the SMILES notation for ethane-1,2-diol;bis(prop-1-ene)?
The canonical SMILES for ethane-1,2-diol;bis(prop-1-ene) is C=CC.C=CC.OCCO.
What is the InChIKey of ethane-1,2-diol;bis(prop-1-ene)?
The InChIKey is MVKYQTGCKJXECD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6.C2H6O2/c2*1-3-2;3-1-2-4/h2*3H,1H2,2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;bis(prop-1-ene)?
ethane-1,2-diol;bis(prop-1-ene) has a molecular weight of 146.23 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;bis(prop-1-ene) is sourced from PubChem (CID 87058044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).