14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene

C31H60O2 — CID 123583402

IUPAC14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene
SMILESCCCCC=CCCCCCCCCOCC(C)OCCCCCCCCC=CCCCC
InChIInChI=1S/C31H60O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-32-30-31(3)33-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h10-13,31H,4-9,14-30H2,1-3H3
InChIKeyFVNKOZLIKDSCIQ-UHFFFAOYSA-N
MW464.82 g/mol
LogP10.36
Rot. Bonds27

About 14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene

14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene (PubChem CID 123583402) has the molecular formula C31H60O2 and a molecular weight of 464.82 g/mol. Its IUPAC name is 14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene.

Molecular Properties

Compound Name14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene
PubChem CID123583402
Molecular FormulaC31H60O2
Molecular Weight464.82 g/mol
Exact Mass464.46
IUPAC Name14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene
SMILESCCCCC=CCCCCCCCCOCC(C)OCCCCCCCCC=CCCCC
InChIInChI=1S/C31H60O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-32-30-31(3)33-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h10-13,31H,4-9,14-30H2,1-3H3
InChIKeyFVNKOZLIKDSCIQ-UHFFFAOYSA-N
XLogP10.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.82
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-hexoxypropoxy)hexane
CID 71353992
1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
1-(2-propoxypropoxy)pentane
CID 22002926
1-(1-propoxypropan-2-yloxy)pentane
CID 154093458
2-dodecoxy-3-octadec-9-enoxypropan-1-amine
CID 73078793
2-dodecoxy-3-[(E)-octadec-9-enoxy]propan-1-amine
CID 10142240
1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 57074955
9-(2-non-8-enoxypropoxy)non-1-ene
CID 168985455
(6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene
CID 126615263
trimethyl-[2-[(E)-octadec-9-enoxy]-3-[(Z)-octadec-9-enoxy]propyl]azanium
CID 10122548
(Z)-13-ethoxytridec-5-ene
CID 87205027

Frequently Asked Questions

What is the IUPAC name of 14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene?
The IUPAC name of 14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene (CID 123583402) is 14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene.
What is the SMILES notation for 14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene?
The canonical SMILES for 14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene is CCCCC=CCCCCCCCCOCC(C)OCCCCCCCCC=CCCCC.
What is the InChIKey of 14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene?
The InChIKey is FVNKOZLIKDSCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H60O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-32-30-31(3)33-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h10-13,31H,4-9,14-30H2,1-3H3.
What are the key properties of 14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene?
14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene has a molecular weight of 464.82 g/mol, XLogP of 10.36, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene is sourced from PubChem (CID 123583402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).