(5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one

C19H26O3 — CID 162968648

IUPAC(5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one
SMILESCC/C=C/CC=CCC=CCC=CC[C@@]1(OC)C=CC(=O)O1
InChIInChI=1S/C19H26O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21-2)17-15-18(20)22-19/h4-5,7-8,10-11,13-15,17H,3,6,9,12,16H2,1-2H3/b5-4+,8-7?,11-10?,14-13?/t19-/m0/s1
InChIKeyBFLDYOKWEGYFDC-HWWUIIKVSA-N
MW302.41 g/mol
LogP4.64
Rot. Bonds10

About (5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one

(5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one (PubChem CID 162968648) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is (5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one.

Molecular Properties

Compound Name(5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one
PubChem CID162968648
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name(5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one
SMILESCC/C=C/CC=CCC=CCC=CC[C@@]1(OC)C=CC(=O)O1
InChIInChI=1S/C19H26O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21-2)17-15-18(20)22-19/h4-5,7-8,10-11,13-15,17H,3,6,9,12,16H2,1-2H3/b5-4+,8-7?,11-10?,14-13?/t19-/m0/s1
InChIKeyBFLDYOKWEGYFDC-HWWUIIKVSA-N
XLogP4.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one?
The IUPAC name of (5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one (CID 162968648) is (5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one.
What is the SMILES notation for (5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one?
The canonical SMILES for (5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one is CC/C=C/CC=CCC=CCC=CC[C@@]1(OC)C=CC(=O)O1.
What is the InChIKey of (5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one?
The InChIKey is BFLDYOKWEGYFDC-HWWUIIKVSA-N. The full InChI is InChI=1S/C19H26O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21-2)17-15-18(20)22-19/h4-5,7-8,10-11,13-15,17H,3,6,9,12,16H2,1-2H3/b5-4+,8-7?,11-10?,14-13?/t19-/m0/s1.
What are the key properties of (5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one?
(5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one has a molecular weight of 302.41 g/mol, XLogP of 4.64, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one is sourced from PubChem (CID 162968648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).