prop-1-ene;1-propoxypropane

C9H20O — CID 19768063

IUPACprop-1-ene;1-propoxypropane
SMILESC=CC.CCCOCCC
InChIInChI=1S/C6H14O.C3H6/c1-3-5-7-6-4-2;1-3-2/h3-6H2,1-2H3;3H,1H2,2H3
InChIKeyPICGJPCXQSTRCU-UHFFFAOYSA-N
MW144.26 g/mol
LogP3.02
Rot. Bonds4

About prop-1-ene;1-propoxypropane

prop-1-ene;1-propoxypropane (PubChem CID 19768063) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is prop-1-ene;1-propoxypropane.

Molecular Properties

Compound Nameprop-1-ene;1-propoxypropane
PubChem CID19768063
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Nameprop-1-ene;1-propoxypropane
SMILESC=CC.CCCOCCC
InChIInChI=1S/C6H14O.C3H6/c1-3-5-7-6-4-2;1-3-2/h3-6H2,1-2H3;3H,1H2,2H3
InChIKeyPICGJPCXQSTRCU-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-1-ene;1-propoxypropane?
The IUPAC name of prop-1-ene;1-propoxypropane (CID 19768063) is prop-1-ene;1-propoxypropane.
What is the SMILES notation for prop-1-ene;1-propoxypropane?
The canonical SMILES for prop-1-ene;1-propoxypropane is C=CC.CCCOCCC.
What is the InChIKey of prop-1-ene;1-propoxypropane?
The InChIKey is PICGJPCXQSTRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C3H6/c1-3-5-7-6-4-2;1-3-2/h3-6H2,1-2H3;3H,1H2,2H3.
What are the key properties of prop-1-ene;1-propoxypropane?
prop-1-ene;1-propoxypropane has a molecular weight of 144.26 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;1-propoxypropane is sourced from PubChem (CID 19768063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).