(2S,3E,5Z,11Z)-13-ethoxytrideca-3,5,11-trien-2-ol

C15H26O2 — CID 59898766

IUPAC(2S,3E,5Z,11Z)-13-ethoxytrideca-3,5,11-trien-2-ol
SMILESCCOC/C=C\CCCC/C=C\C=C\[C@H](C)O
InChIInChI=1S/C15H26O2/c1-3-17-14-12-10-8-6-4-5-7-9-11-13-15(2)16/h7,9-13,15-16H,3-6,8,14H2,1-2H3/b9-7-,12-10-,13-11+/t15-/m0/s1
InChIKeyVYZYKFYTVLFDOU-SMMNFUNESA-N
MW238.37 g/mol
LogP3.63
Rot. Bonds10

About (2S,3E,5Z,11Z)-13-ethoxytrideca-3,5,11-trien-2-ol

(2S,3E,5Z,11Z)-13-ethoxytrideca-3,5,11-trien-2-ol (PubChem CID 59898766) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S,3E,5Z,11Z)-13-ethoxytrideca-3,5,11-trien-2-ol.

Molecular Properties

Compound Name(2S,3E,5Z,11Z)-13-ethoxytrideca-3,5,11-trien-2-ol
PubChem CID59898766
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2S,3E,5Z,11Z)-13-ethoxytrideca-3,5,11-trien-2-ol
SMILESCCOC/C=C\CCCC/C=C\C=C\[C@H](C)O
InChIInChI=1S/C15H26O2/c1-3-17-14-12-10-8-6-4-5-7-9-11-13-15(2)16/h7,9-13,15-16H,3-6,8,14H2,1-2H3/b9-7-,12-10-,13-11+/t15-/m0/s1
InChIKeyVYZYKFYTVLFDOU-SMMNFUNESA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3E,5Z,11Z)-13-ethoxytrideca-3,5,11-trien-2-ol?
The IUPAC name of (2S,3E,5Z,11Z)-13-ethoxytrideca-3,5,11-trien-2-ol (CID 59898766) is (2S,3E,5Z,11Z)-13-ethoxytrideca-3,5,11-trien-2-ol.
What is the SMILES notation for (2S,3E,5Z,11Z)-13-ethoxytrideca-3,5,11-trien-2-ol?
The canonical SMILES for (2S,3E,5Z,11Z)-13-ethoxytrideca-3,5,11-trien-2-ol is CCOC/C=C\CCCC/C=C\C=C\[C@H](C)O.
What is the InChIKey of (2S,3E,5Z,11Z)-13-ethoxytrideca-3,5,11-trien-2-ol?
The InChIKey is VYZYKFYTVLFDOU-SMMNFUNESA-N. The full InChI is InChI=1S/C15H26O2/c1-3-17-14-12-10-8-6-4-5-7-9-11-13-15(2)16/h7,9-13,15-16H,3-6,8,14H2,1-2H3/b9-7-,12-10-,13-11+/t15-/m0/s1.
What are the key properties of (2S,3E,5Z,11Z)-13-ethoxytrideca-3,5,11-trien-2-ol?
(2S,3E,5Z,11Z)-13-ethoxytrideca-3,5,11-trien-2-ol has a molecular weight of 238.37 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3E,5Z,11Z)-13-ethoxytrideca-3,5,11-trien-2-ol is sourced from PubChem (CID 59898766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).