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

C26H52O4 — CID 162392615

IUPAC1-(5,5-dihexoxypent-1-enoxymethoxy)octane
SMILESCCCCCCCCOCOC=CCCC(OCCCCCC)OCCCCCC
InChIInChI=1S/C26H52O4/c1-4-7-10-13-14-16-21-27-25-28-22-19-15-20-26(29-23-17-11-8-5-2)30-24-18-12-9-6-3/h19,22,26H,4-18,20-21,23-25H2,1-3H3
InChIKeyVFINLLAWOCQNEQ-UHFFFAOYSA-N
MW428.70 g/mol
LogP8.15
Rot. Bonds25

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

1-(5,5-dihexoxypent-1-enoxymethoxy)octane (PubChem CID 162392615) has the molecular formula C26H52O4 and a molecular weight of 428.70 g/mol. Its IUPAC name is 1-(5,5-dihexoxypent-1-enoxymethoxy)octane.

Molecular Properties

Compound Name1-(5,5-dihexoxypent-1-enoxymethoxy)octane
PubChem CID162392615
Molecular FormulaC26H52O4
Molecular Weight428.70 g/mol
Exact Mass428.39
IUPAC Name1-(5,5-dihexoxypent-1-enoxymethoxy)octane
SMILESCCCCCCCCOCOC=CCCC(OCCCCCC)OCCCCCC
InChIInChI=1S/C26H52O4/c1-4-7-10-13-14-16-21-27-25-28-22-19-15-20-26(29-23-17-11-8-5-2)30-24-18-12-9-6-3/h19,22,26H,4-18,20-21,23-25H2,1-3H3
InChIKeyVFINLLAWOCQNEQ-UHFFFAOYSA-N
XLogP8.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.70
LogP ≤ 58.15
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-dipropoxypent-1-enoxymethoxy)octane
CID 162392746
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
14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene
CID 163205475
1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163205565
7,7-diethoxy-1-(hexoxymethoxy)hept-1-ene
CID 162392678
1-[7-(ethoxymethoxy)-1-octoxyhept-6-enoxy]octane
CID 162392537
5,5-dioctoxypent-1-enoxymethoxymethylbenzene
CID 162392369
1-[7-(methoxymethoxy)-1-nonoxyhept-6-enoxy]nonane
CID 162392344
7,7-diheptoxy-1-(methoxymethoxy)hept-1-ene
CID 162392781

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dihexoxypent-1-enoxymethoxy)octane?
The IUPAC name of 1-(5,5-dihexoxypent-1-enoxymethoxy)octane (CID 162392615) is 1-(5,5-dihexoxypent-1-enoxymethoxy)octane.
What is the SMILES notation for 1-(5,5-dihexoxypent-1-enoxymethoxy)octane?
The canonical SMILES for 1-(5,5-dihexoxypent-1-enoxymethoxy)octane is CCCCCCCCOCOC=CCCC(OCCCCCC)OCCCCCC.
What is the InChIKey of 1-(5,5-dihexoxypent-1-enoxymethoxy)octane?
The InChIKey is VFINLLAWOCQNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O4/c1-4-7-10-13-14-16-21-27-25-28-22-19-15-20-26(29-23-17-11-8-5-2)30-24-18-12-9-6-3/h19,22,26H,4-18,20-21,23-25H2,1-3H3.
What are the key properties of 1-(5,5-dihexoxypent-1-enoxymethoxy)octane?
1-(5,5-dihexoxypent-1-enoxymethoxy)octane has a molecular weight of 428.70 g/mol, XLogP of 8.15, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dihexoxypent-1-enoxymethoxy)octane is sourced from PubChem (CID 162392615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).