bis(prop-1-ene);1-propoxypropane

C12H26O — CID 19768062

IUPACbis(prop-1-ene);1-propoxypropane
SMILESC=CC.C=CC.CCCOCCC
InChIInChI=1S/C6H14O.2C3H6/c1-3-5-7-6-4-2;2*1-3-2/h3-6H2,1-2H3;2*3H,1H2,2H3
InChIKeyKQUPDQVFLFPVBR-UHFFFAOYSA-N
MW186.34 g/mol
LogP4.21
Rot. Bonds4

About bis(prop-1-ene);1-propoxypropane

bis(prop-1-ene);1-propoxypropane (PubChem CID 19768062) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is bis(prop-1-ene);1-propoxypropane.

Molecular Properties

Compound Namebis(prop-1-ene);1-propoxypropane
PubChem CID19768062
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Namebis(prop-1-ene);1-propoxypropane
SMILESC=CC.C=CC.CCCOCCC
InChIInChI=1S/C6H14O.2C3H6/c1-3-5-7-6-4-2;2*1-3-2/h3-6H2,1-2H3;2*3H,1H2,2H3
InChIKeyKQUPDQVFLFPVBR-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.21
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 bis(prop-1-ene);1-propoxypropane?
The IUPAC name of bis(prop-1-ene);1-propoxypropane (CID 19768062) is bis(prop-1-ene);1-propoxypropane.
What is the SMILES notation for bis(prop-1-ene);1-propoxypropane?
The canonical SMILES for bis(prop-1-ene);1-propoxypropane is C=CC.C=CC.CCCOCCC.
What is the InChIKey of bis(prop-1-ene);1-propoxypropane?
The InChIKey is KQUPDQVFLFPVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.2C3H6/c1-3-5-7-6-4-2;2*1-3-2/h3-6H2,1-2H3;2*3H,1H2,2H3.
What are the key properties of bis(prop-1-ene);1-propoxypropane?
bis(prop-1-ene);1-propoxypropane has a molecular weight of 186.34 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-1-ene);1-propoxypropane is sourced from PubChem (CID 19768062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).