(5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one

C14H18O2 — CID 162655447

IUPAC(5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one
SMILESCC/C=C/C=C/C=C/C=C/[C@@H]1CCC(=O)O1
InChIInChI=1S/C14H18O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(15)16-13/h3-10,13H,2,11-12H2,1H3/b4-3+,6-5+,8-7+,10-9+/t13-/m1/s1
InChIKeyZJFPHXQKKZTRQE-JPJBAVPRSA-N
MW218.30 g/mol
LogP3.33
Rot. Bonds5

About (5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one

(5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one (PubChem CID 162655447) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one
PubChem CID162655447
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one
SMILESCC/C=C/C=C/C=C/C=C/[C@@H]1CCC(=O)O1
InChIInChI=1S/C14H18O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(15)16-13/h3-10,13H,2,11-12H2,1H3/b4-3+,6-5+,8-7+,10-9+/t13-/m1/s1
InChIKeyZJFPHXQKKZTRQE-JPJBAVPRSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one (CID 162655447) is (5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one is CC/C=C/C=C/C=C/C=C/[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one?
The InChIKey is ZJFPHXQKKZTRQE-JPJBAVPRSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(15)16-13/h3-10,13H,2,11-12H2,1H3/b4-3+,6-5+,8-7+,10-9+/t13-/m1/s1.
What are the key properties of (5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one?
(5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one has a molecular weight of 218.30 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one is sourced from PubChem (CID 162655447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).