propane-1,2-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene

C9H18O3 — CID 87865597

IUPACpropane-1,2-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene
SMILESC/C=C\O/C=C\C.CC(O)CO
InChIInChI=1S/C6H10O.C3H8O2/c1-3-5-7-6-4-2;1-3(5)2-4/h3-6H,1-2H3;3-5H,2H2,1H3/b5-3-,6-4-;
InChIKeyCCUMWMJMDHCYPZ-VIOUERSGSA-N
MW174.24 g/mol
LogP1.43
Rot. Bonds3

About propane-1,2-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene

propane-1,2-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene (PubChem CID 87865597) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is propane-1,2-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene.

Molecular Properties

Compound Namepropane-1,2-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene
PubChem CID87865597
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Namepropane-1,2-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene
SMILESC/C=C\O/C=C\C.CC(O)CO
InChIInChI=1S/C6H10O.C3H8O2/c1-3-5-7-6-4-2;1-3(5)2-4/h3-6H,1-2H3;3-5H,2H2,1H3/b5-3-,6-4-;
InChIKeyCCUMWMJMDHCYPZ-VIOUERSGSA-N
XLogP1.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propane-1,2-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene?
The IUPAC name of propane-1,2-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene (CID 87865597) is propane-1,2-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene.
What is the SMILES notation for propane-1,2-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene?
The canonical SMILES for propane-1,2-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene is C/C=C\O/C=C\C.CC(O)CO.
What is the InChIKey of propane-1,2-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene?
The InChIKey is CCUMWMJMDHCYPZ-VIOUERSGSA-N. The full InChI is InChI=1S/C6H10O.C3H8O2/c1-3-5-7-6-4-2;1-3(5)2-4/h3-6H,1-2H3;3-5H,2H2,1H3/b5-3-,6-4-;.
What are the key properties of propane-1,2-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene?
propane-1,2-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene has a molecular weight of 174.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene is sourced from PubChem (CID 87865597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).