14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene

C27H54O4 — CID 163205475

IUPAC14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene
SMILESCCCCOCOC=CCCCCCCCCCCCC(OCCCC)OCCCC
InChIInChI=1S/C27H54O4/c1-4-7-22-28-26-29-23-20-18-16-14-12-10-11-13-15-17-19-21-27(30-24-8-5-2)31-25-9-6-3/h20,23,27H,4-19,21-22,24-26H2,1-3H3
InChIKeyQXOZGEOZQNWDAZ-UHFFFAOYSA-N
MW442.73 g/mol
LogP8.54
Rot. Bonds26

About 14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene

14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene (PubChem CID 163205475) has the molecular formula C27H54O4 and a molecular weight of 442.73 g/mol. Its IUPAC name is 14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene.

Molecular Properties

Compound Name14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene
PubChem CID163205475
Molecular FormulaC27H54O4
Molecular Weight442.73 g/mol
Exact Mass442.40
IUPAC Name14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene
SMILESCCCCOCOC=CCCCCCCCCCCCC(OCCCC)OCCCC
InChIInChI=1S/C27H54O4/c1-4-7-22-28-26-29-23-20-18-16-14-12-10-11-13-15-17-19-21-27(30-24-8-5-2)31-25-9-6-3/h20,23,27H,4-19,21-22,24-26H2,1-3H3
InChIKeyQXOZGEOZQNWDAZ-UHFFFAOYSA-N
XLogP8.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.73
LogP ≤ 58.54
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
14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene
CID 163205523
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
7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene
CID 162392591
1-(5,5-dihexoxypent-1-enoxymethoxy)octane
CID 162392615
7,7-diheptoxy-1-(methoxymethoxy)hept-1-ene
CID 162392781
9,9-dihexoxy-1-(methoxymethoxy)non-1-ene
CID 162392647
11,11-diheptoxy-1-(methoxymethoxy)undec-1-ene
CID 162392525

Frequently Asked Questions

What is the IUPAC name of 14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene?
The IUPAC name of 14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene (CID 163205475) is 14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene.
What is the SMILES notation for 14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene?
The canonical SMILES for 14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene is CCCCOCOC=CCCCCCCCCCCCC(OCCCC)OCCCC.
What is the InChIKey of 14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene?
The InChIKey is QXOZGEOZQNWDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O4/c1-4-7-22-28-26-29-23-20-18-16-14-12-10-11-13-15-17-19-21-27(30-24-8-5-2)31-25-9-6-3/h20,23,27H,4-19,21-22,24-26H2,1-3H3.
What are the key properties of 14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene?
14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene has a molecular weight of 442.73 g/mol, XLogP of 8.54, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene is sourced from PubChem (CID 163205475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).