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

C13H30O4 — CID 67882605

IUPACcyclopropane;bis(ethane-1,2-diol);bis(prop-1-ene)
SMILESC1CC1.C=CC.C=CC.OCCO.OCCO
InChIInChI=1S/3C3H6.2C2H6O2/c1-2-3-1;2*1-3-2;2*3-1-2-4/h1-3H2;2*3H,1H2,2H3;2*3-4H,1-2H2
InChIKeyJTAIRYXIWVLXIW-UHFFFAOYSA-N
MW250.38 g/mol
LogP1.50
Rot. Bonds2

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

cyclopropane;bis(ethane-1,2-diol);bis(prop-1-ene) (PubChem CID 67882605) has the molecular formula C13H30O4 and a molecular weight of 250.38 g/mol. Its IUPAC name is cyclopropane;bis(ethane-1,2-diol);bis(prop-1-ene).

Molecular Properties

Compound Namecyclopropane;bis(ethane-1,2-diol);bis(prop-1-ene)
PubChem CID67882605
Molecular FormulaC13H30O4
Molecular Weight250.38 g/mol
Exact Mass250.21
IUPAC Namecyclopropane;bis(ethane-1,2-diol);bis(prop-1-ene)
SMILESC1CC1.C=CC.C=CC.OCCO.OCCO
InChIInChI=1S/3C3H6.2C2H6O2/c1-2-3-1;2*1-3-2;2*3-1-2-4/h1-3H2;2*3H,1H2,2H3;2*3-4H,1-2H2
InChIKeyJTAIRYXIWVLXIW-UHFFFAOYSA-N
XLogP1.50
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 cyclopropane;bis(ethane-1,2-diol);bis(prop-1-ene)?
The IUPAC name of cyclopropane;bis(ethane-1,2-diol);bis(prop-1-ene) (CID 67882605) is cyclopropane;bis(ethane-1,2-diol);bis(prop-1-ene).
What is the SMILES notation for cyclopropane;bis(ethane-1,2-diol);bis(prop-1-ene)?
The canonical SMILES for cyclopropane;bis(ethane-1,2-diol);bis(prop-1-ene) is C1CC1.C=CC.C=CC.OCCO.OCCO.
What is the InChIKey of cyclopropane;bis(ethane-1,2-diol);bis(prop-1-ene)?
The InChIKey is JTAIRYXIWVLXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H6.2C2H6O2/c1-2-3-1;2*1-3-2;2*3-1-2-4/h1-3H2;2*3H,1H2,2H3;2*3-4H,1-2H2.
What are the key properties of cyclopropane;bis(ethane-1,2-diol);bis(prop-1-ene)?
cyclopropane;bis(ethane-1,2-diol);bis(prop-1-ene) has a molecular weight of 250.38 g/mol, XLogP of 1.50, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;bis(ethane-1,2-diol);bis(prop-1-ene) is sourced from PubChem (CID 67882605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).