ethane-1,2-diol;propan-2-ol;prop-1-ene

C8H20O3 — CID 87786416

IUPACethane-1,2-diol;propan-2-ol;prop-1-ene
SMILESC=CC.CC(C)O.OCCO
InChIInChI=1S/C3H8O.C3H6.C2H6O2/c1-3(2)4;1-3-2;3-1-2-4/h3-4H,1-2H3;3H,1H2,2H3;3-4H,1-2H2
InChIKeyDMWSHGLVVRTNEG-UHFFFAOYSA-N
MW164.25 g/mol
LogP0.55
Rot. Bonds1

About ethane-1,2-diol;propan-2-ol;prop-1-ene

ethane-1,2-diol;propan-2-ol;prop-1-ene (PubChem CID 87786416) has the molecular formula C8H20O3 and a molecular weight of 164.25 g/mol. Its IUPAC name is ethane-1,2-diol;propan-2-ol;prop-1-ene.

Molecular Properties

Compound Nameethane-1,2-diol;propan-2-ol;prop-1-ene
PubChem CID87786416
Molecular FormulaC8H20O3
Molecular Weight164.25 g/mol
Exact Mass164.14
IUPAC Nameethane-1,2-diol;propan-2-ol;prop-1-ene
SMILESC=CC.CC(C)O.OCCO
InChIInChI=1S/C3H8O.C3H6.C2H6O2/c1-3(2)4;1-3-2;3-1-2-4/h3-4H,1-2H3;3H,1H2,2H3;3-4H,1-2H2
InChIKeyDMWSHGLVVRTNEG-UHFFFAOYSA-N
XLogP0.55
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.55
H-Bond Donors ≤ 53
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;propan-2-ol;prop-1-ene?
The IUPAC name of ethane-1,2-diol;propan-2-ol;prop-1-ene (CID 87786416) is ethane-1,2-diol;propan-2-ol;prop-1-ene.
What is the SMILES notation for ethane-1,2-diol;propan-2-ol;prop-1-ene?
The canonical SMILES for ethane-1,2-diol;propan-2-ol;prop-1-ene is C=CC.CC(C)O.OCCO.
What is the InChIKey of ethane-1,2-diol;propan-2-ol;prop-1-ene?
The InChIKey is DMWSHGLVVRTNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C3H6.C2H6O2/c1-3(2)4;1-3-2;3-1-2-4/h3-4H,1-2H3;3H,1H2,2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;propan-2-ol;prop-1-ene?
ethane-1,2-diol;propan-2-ol;prop-1-ene has a molecular weight of 164.25 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;propan-2-ol;prop-1-ene is sourced from PubChem (CID 87786416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).