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

C9H20O2 — CID 87325568

IUPACpropane-1,2-diol;bis(prop-1-ene)
SMILESC=CC.C=CC.CC(O)CO
InChIInChI=1S/C3H8O2.2C3H6/c1-3(5)2-4;2*1-3-2/h3-5H,2H2,1H3;2*3H,1H2,2H3
InChIKeyAGFPRHALNHTGLS-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.74
Rot. Bonds1

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

propane-1,2-diol;bis(prop-1-ene) (PubChem CID 87325568) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is propane-1,2-diol;bis(prop-1-ene).

Molecular Properties

Compound Namepropane-1,2-diol;bis(prop-1-ene)
PubChem CID87325568
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Namepropane-1,2-diol;bis(prop-1-ene)
SMILESC=CC.C=CC.CC(O)CO
InChIInChI=1S/C3H8O2.2C3H6/c1-3(5)2-4;2*1-3-2/h3-5H,2H2,1H3;2*3H,1H2,2H3
InChIKeyAGFPRHALNHTGLS-UHFFFAOYSA-N
XLogP1.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propane-1,2-diol
CID 23506506
ethane-1,2-diol;propan-2-ol;prop-1-ene
CID 87786416
CID 160650971
CID 160650971
propane-1,2-diol;silver
CID 158521790
phenol;propane-1,2-diol;prop-1-ene
CID 174392843
propane-1,2-diol;prop-2-enamide
CID 135223311
CID 158929584
CID 158929584
methanol;propane-1,2-diol;hydrochloride
CID 88632623
propane-1,2-diol;trihydrochloride;dihydrofluoride
CID 174772875
oxaldehyde;propane-1,2-diol
CID 87878594
ethenoxyethane;propane-1,2-diol
CID 87233318
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 88779940

Frequently Asked Questions

What is the IUPAC name of propane-1,2-diol;bis(prop-1-ene)?
The IUPAC name of propane-1,2-diol;bis(prop-1-ene) (CID 87325568) is propane-1,2-diol;bis(prop-1-ene).
What is the SMILES notation for propane-1,2-diol;bis(prop-1-ene)?
The canonical SMILES for propane-1,2-diol;bis(prop-1-ene) is C=CC.C=CC.CC(O)CO.
What is the InChIKey of propane-1,2-diol;bis(prop-1-ene)?
The InChIKey is AGFPRHALNHTGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.2C3H6/c1-3(5)2-4;2*1-3-2/h3-5H,2H2,1H3;2*3H,1H2,2H3.
What are the key properties of propane-1,2-diol;bis(prop-1-ene)?
propane-1,2-diol;bis(prop-1-ene) has a molecular weight of 160.26 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2-diol;bis(prop-1-ene) is sourced from PubChem (CID 87325568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).