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

C14H32O4 — CID 67820702

IUPACcyclobutane;bis(ethane-1,2-diol);bis(prop-1-ene)
SMILESC1CCC1.C=CC.C=CC.OCCO.OCCO
InChIInChI=1S/C4H8.2C3H6.2C2H6O2/c1-2-4-3-1;2*1-3-2;2*3-1-2-4/h1-4H2;2*3H,1H2,2H3;2*3-4H,1-2H2
InChIKeyBHYOOUIWVZJBEU-UHFFFAOYSA-N
MW264.41 g/mol
LogP1.89
Rot. Bonds2

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

cyclobutane;bis(ethane-1,2-diol);bis(prop-1-ene) (PubChem CID 67820702) has the molecular formula C14H32O4 and a molecular weight of 264.41 g/mol. Its IUPAC name is cyclobutane;bis(ethane-1,2-diol);bis(prop-1-ene).

Molecular Properties

Compound Namecyclobutane;bis(ethane-1,2-diol);bis(prop-1-ene)
PubChem CID67820702
Molecular FormulaC14H32O4
Molecular Weight264.41 g/mol
Exact Mass264.23
IUPAC Namecyclobutane;bis(ethane-1,2-diol);bis(prop-1-ene)
SMILESC1CCC1.C=CC.C=CC.OCCO.OCCO
InChIInChI=1S/C4H8.2C3H6.2C2H6O2/c1-2-4-3-1;2*1-3-2;2*3-1-2-4/h1-4H2;2*3H,1H2,2H3;2*3-4H,1-2H2
InChIKeyBHYOOUIWVZJBEU-UHFFFAOYSA-N
XLogP1.89
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 51.89
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 cyclobutane;bis(ethane-1,2-diol);bis(prop-1-ene)?
The IUPAC name of cyclobutane;bis(ethane-1,2-diol);bis(prop-1-ene) (CID 67820702) is cyclobutane;bis(ethane-1,2-diol);bis(prop-1-ene).
What is the SMILES notation for cyclobutane;bis(ethane-1,2-diol);bis(prop-1-ene)?
The canonical SMILES for cyclobutane;bis(ethane-1,2-diol);bis(prop-1-ene) is C1CCC1.C=CC.C=CC.OCCO.OCCO.
What is the InChIKey of cyclobutane;bis(ethane-1,2-diol);bis(prop-1-ene)?
The InChIKey is BHYOOUIWVZJBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.2C3H6.2C2H6O2/c1-2-4-3-1;2*1-3-2;2*3-1-2-4/h1-4H2;2*3H,1H2,2H3;2*3-4H,1-2H2.
What are the key properties of cyclobutane;bis(ethane-1,2-diol);bis(prop-1-ene)?
cyclobutane;bis(ethane-1,2-diol);bis(prop-1-ene) has a molecular weight of 264.41 g/mol, XLogP of 1.89, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;bis(ethane-1,2-diol);bis(prop-1-ene) is sourced from PubChem (CID 67820702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).