(2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol

C17H26O3 — CID 6437375

IUPAC(2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol
SMILESCCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](O)CO
InChIInChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16-17(19)15-18/h5-14,17-19H,2-4,15-16H2,1H3/b6-5+,8-7+,10-9+,12-11+,14-13+/t17-/m0/s1
InChIKeyUCSSTHOWGCFAPL-XQICVRGGSA-N
MW278.39 g/mol
LogP3.28
Rot. Bonds11

About (2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol

(2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol (PubChem CID 6437375) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol
PubChem CID6437375
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol
SMILESCCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](O)CO
InChIInChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16-17(19)15-18/h5-14,17-19H,2-4,15-16H2,1H3/b6-5+,8-7+,10-9+,12-11+,14-13+/t17-/m0/s1
InChIKeyUCSSTHOWGCFAPL-XQICVRGGSA-N
XLogP3.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol?
The IUPAC name of (2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol (CID 6437375) is (2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol?
The canonical SMILES for (2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol is CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](O)CO.
What is the InChIKey of (2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol?
The InChIKey is UCSSTHOWGCFAPL-XQICVRGGSA-N. The full InChI is InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16-17(19)15-18/h5-14,17-19H,2-4,15-16H2,1H3/b6-5+,8-7+,10-9+,12-11+,14-13+/t17-/m0/s1.
What are the key properties of (2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol?
(2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol has a molecular weight of 278.39 g/mol, XLogP of 3.28, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol is sourced from PubChem (CID 6437375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).