14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene

C28H56O4 — CID 163205523

IUPAC14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene
SMILESCCCCCOC(CCCCCCCCCCCC=COCOCCC)OCCCCC
InChIInChI=1S/C28H56O4/c1-4-7-19-25-31-28(32-26-20-8-5-2)22-18-16-14-12-10-9-11-13-15-17-21-24-30-27-29-23-6-3/h21,24,28H,4-20,22-23,25-27H2,1-3H3
InChIKeyHYVBGNWMNHCGPR-UHFFFAOYSA-N
MW456.75 g/mol
LogP8.93
Rot. Bonds27

About 14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene

14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene (PubChem CID 163205523) has the molecular formula C28H56O4 and a molecular weight of 456.75 g/mol. Its IUPAC name is 14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene.

Molecular Properties

Compound Name14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene
PubChem CID163205523
Molecular FormulaC28H56O4
Molecular Weight456.75 g/mol
Exact Mass456.42
IUPAC Name14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene
SMILESCCCCCOC(CCCCCCCCCCCC=COCOCCC)OCCCCC
InChIInChI=1S/C28H56O4/c1-4-7-19-25-31-28(32-26-20-8-5-2)22-18-16-14-12-10-9-11-13-15-17-21-24-30-27-29-23-6-3/h21,24,28H,4-20,22-23,25-27H2,1-3H3
InChIKeyHYVBGNWMNHCGPR-UHFFFAOYSA-N
XLogP8.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.75
LogP ≤ 58.93
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-(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
1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163205565
1-[7-(ethoxymethoxy)-1-octoxyhept-6-enoxy]octane
CID 162392537
14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene
CID 163205475
7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene
CID 162392591
7,7-diethoxy-1-(hexoxymethoxy)hept-1-ene
CID 162392678
11,11-diheptoxy-1-(methoxymethoxy)undec-1-ene
CID 162392525
1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene
CID 163205855
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 14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene?
The IUPAC name of 14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene (CID 163205523) is 14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene.
What is the SMILES notation for 14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene?
The canonical SMILES for 14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene is CCCCCOC(CCCCCCCCCCCC=COCOCCC)OCCCCC.
What is the InChIKey of 14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene?
The InChIKey is HYVBGNWMNHCGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O4/c1-4-7-19-25-31-28(32-26-20-8-5-2)22-18-16-14-12-10-9-11-13-15-17-21-24-30-27-29-23-6-3/h21,24,28H,4-20,22-23,25-27H2,1-3H3.
What are the key properties of 14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene?
14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene has a molecular weight of 456.75 g/mol, XLogP of 8.93, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene is sourced from PubChem (CID 163205523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).