1-(5,5-dipropoxypent-1-enoxymethoxy)octane

C20H40O4 — CID 162392746

IUPAC1-(5,5-dipropoxypent-1-enoxymethoxy)octane
SMILESCCCCCCCCOCOC=CCCC(OCCC)OCCC
InChIInChI=1S/C20H40O4/c1-4-7-8-9-10-12-17-21-19-22-18-13-11-14-20(23-15-5-2)24-16-6-3/h13,18,20H,4-12,14-17,19H2,1-3H3
InChIKeyVFHKYLDVUFAHNM-UHFFFAOYSA-N
MW344.54 g/mol
LogP5.81
Rot. Bonds19

About 1-(5,5-dipropoxypent-1-enoxymethoxy)octane

1-(5,5-dipropoxypent-1-enoxymethoxy)octane (PubChem CID 162392746) has the molecular formula C20H40O4 and a molecular weight of 344.54 g/mol. Its IUPAC name is 1-(5,5-dipropoxypent-1-enoxymethoxy)octane.

Molecular Properties

Compound Name1-(5,5-dipropoxypent-1-enoxymethoxy)octane
PubChem CID162392746
Molecular FormulaC20H40O4
Molecular Weight344.54 g/mol
Exact Mass344.29
IUPAC Name1-(5,5-dipropoxypent-1-enoxymethoxy)octane
SMILESCCCCCCCCOCOC=CCCC(OCCC)OCCC
InChIInChI=1S/C20H40O4/c1-4-7-8-9-10-12-17-21-19-22-18-13-11-14-20(23-15-5-2)24-16-6-3/h13,18,20H,4-12,14-17,19H2,1-3H3
InChIKeyVFHKYLDVUFAHNM-UHFFFAOYSA-N
XLogP5.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5,5-dihexoxypent-1-enoxymethoxy)octane
CID 162392615
1-(decoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163206012
12,12-diheptoxy-1-(hexoxymethoxy)dodec-1-ene
CID 163205820
12,12-dihexoxy-1-(nonoxymethoxy)dodec-1-ene
CID 163205535
14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene
CID 163205523
7,7-diethoxy-1-(hexoxymethoxy)hept-1-ene
CID 162392678
14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene
CID 163205475
7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene
CID 162392591
1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163205565
1-[7-(ethoxymethoxy)-1-octoxyhept-6-enoxy]octane
CID 162392537
1-(methoxymethoxy)-5,5-dipropoxypent-1-ene
CID 162392404
5,5-dioctoxypent-1-enoxymethoxymethylbenzene
CID 162392369

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dipropoxypent-1-enoxymethoxy)octane?
The IUPAC name of 1-(5,5-dipropoxypent-1-enoxymethoxy)octane (CID 162392746) is 1-(5,5-dipropoxypent-1-enoxymethoxy)octane.
What is the SMILES notation for 1-(5,5-dipropoxypent-1-enoxymethoxy)octane?
The canonical SMILES for 1-(5,5-dipropoxypent-1-enoxymethoxy)octane is CCCCCCCCOCOC=CCCC(OCCC)OCCC.
What is the InChIKey of 1-(5,5-dipropoxypent-1-enoxymethoxy)octane?
The InChIKey is VFHKYLDVUFAHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4/c1-4-7-8-9-10-12-17-21-19-22-18-13-11-14-20(23-15-5-2)24-16-6-3/h13,18,20H,4-12,14-17,19H2,1-3H3.
What are the key properties of 1-(5,5-dipropoxypent-1-enoxymethoxy)octane?
1-(5,5-dipropoxypent-1-enoxymethoxy)octane has a molecular weight of 344.54 g/mol, XLogP of 5.81, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dipropoxypent-1-enoxymethoxy)octane is sourced from PubChem (CID 162392746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).