propane;propan-2-one;prop-1-ene

C9H20O — CID 160807834

IUPACpropane;propan-2-one;prop-1-ene
SMILESC=CC.CC(C)=O.CCC
InChIInChI=1S/C3H6O.C3H8.C3H6/c1-3(2)4;2*1-3-2/h1-2H3;3H2,1-2H3;3H,1H2,2H3
InChIKeySDXULWBTTDDJQC-UHFFFAOYSA-N
MW144.26 g/mol
LogP3.20
Rot. Bonds

About propane;propan-2-one;prop-1-ene

propane;propan-2-one;prop-1-ene (PubChem CID 160807834) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is propane;propan-2-one;prop-1-ene.

Molecular Properties

Compound Namepropane;propan-2-one;prop-1-ene
PubChem CID160807834
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Namepropane;propan-2-one;prop-1-ene
SMILESC=CC.CC(C)=O.CCC
InChIInChI=1S/C3H6O.C3H8.C3H6/c1-3(2)4;2*1-3-2/h1-2H3;3H2,1-2H3;3H,1H2,2H3
InChIKeySDXULWBTTDDJQC-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propane;propan-2-one;prop-1-ene?
The IUPAC name of propane;propan-2-one;prop-1-ene (CID 160807834) is propane;propan-2-one;prop-1-ene.
What is the SMILES notation for propane;propan-2-one;prop-1-ene?
The canonical SMILES for propane;propan-2-one;prop-1-ene is C=CC.CC(C)=O.CCC.
What is the InChIKey of propane;propan-2-one;prop-1-ene?
The InChIKey is SDXULWBTTDDJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C3H8.C3H6/c1-3(2)4;2*1-3-2/h1-2H3;3H2,1-2H3;3H,1H2,2H3.
What are the key properties of propane;propan-2-one;prop-1-ene?
propane;propan-2-one;prop-1-ene has a molecular weight of 144.26 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;propan-2-one;prop-1-ene is sourced from PubChem (CID 160807834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).