3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene

C28H50O — CID 57120298

IUPAC3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene
SMILESC=CCCCCCCCCCC(C=C)OC(C=C)CCCCCCCCCC=C
InChIInChI=1S/C28H50O/c1-5-9-11-13-15-17-19-21-23-25-27(7-3)29-28(8-4)26-24-22-20-18-16-14-12-10-6-2/h5-8,27-28H,1-4,9-26H2
InChIKeyPCHKIGXRDDGGBU-UHFFFAOYSA-N
MW402.71 g/mol
LogP9.51
Rot. Bonds24

About 3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene

3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene (PubChem CID 57120298) has the molecular formula C28H50O and a molecular weight of 402.71 g/mol. Its IUPAC name is 3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene.

Molecular Properties

Compound Name3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene
PubChem CID57120298
Molecular FormulaC28H50O
Molecular Weight402.71 g/mol
Exact Mass402.39
IUPAC Name3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene
SMILESC=CCCCCCCCCCC(C=C)OC(C=C)CCCCCCCCCC=C
InChIInChI=1S/C28H50O/c1-5-9-11-13-15-17-19-21-23-25-27(7-3)29-28(8-4)26-24-22-20-18-16-14-12-10-6-2/h5-8,27-28H,1-4,9-26H2
InChIKeyPCHKIGXRDDGGBU-UHFFFAOYSA-N
XLogP9.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.71
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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CID 21413587
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heptacosa-1,26-diene
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heptadeca-1,16-diene
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13-pent-4-enylheptacosa-1,26-diene
CID 91232021
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CID 141407501
11-bromohenicosa-1,20-diene
CID 102253799
26-methylheptacos-1-ene
CID 154926473
octadec-17-ene-1,1-diamine
CID 87111501
1-octa-1,7-dien-3-yloxyoctane
CID 139990053
1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol
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12,12-diethoxydodec-1-ene
CID 146004846

Frequently Asked Questions

What is the IUPAC name of 3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene?
The IUPAC name of 3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene (CID 57120298) is 3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene.
What is the SMILES notation for 3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene?
The canonical SMILES for 3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene is C=CCCCCCCCCCC(C=C)OC(C=C)CCCCCCCCCC=C.
What is the InChIKey of 3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene?
The InChIKey is PCHKIGXRDDGGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50O/c1-5-9-11-13-15-17-19-21-23-25-27(7-3)29-28(8-4)26-24-22-20-18-16-14-12-10-6-2/h5-8,27-28H,1-4,9-26H2.
What are the key properties of 3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene?
3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene has a molecular weight of 402.71 g/mol, XLogP of 9.51, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene is sourced from PubChem (CID 57120298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).