(5S)-5-methoxy-5-tetradeca-2,5,8-trienylfuran-2-one

C19H28O3 — CID 71367577

IUPAC(5S)-5-methoxy-5-tetradeca-2,5,8-trienylfuran-2-one
SMILESCCCCCC=CCC=CCC=CC[C@@]1(OC)C=CC(=O)O1
InChIInChI=1S/C19H28O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21-2)17-15-18(20)22-19/h7-8,10-11,13-15,17H,3-6,9,12,16H2,1-2H3/t19-/m0/s1
InChIKeyCNMJVHJGBMQNPN-IBGZPJMESA-N
MW304.43 g/mol
LogP4.86
Rot. Bonds11

About (5S)-5-methoxy-5-tetradeca-2,5,8-trienylfuran-2-one

(5S)-5-methoxy-5-tetradeca-2,5,8-trienylfuran-2-one (PubChem CID 71367577) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is (5S)-5-methoxy-5-tetradeca-2,5,8-trienylfuran-2-one.

Molecular Properties

Compound Name(5S)-5-methoxy-5-tetradeca-2,5,8-trienylfuran-2-one
PubChem CID71367577
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name(5S)-5-methoxy-5-tetradeca-2,5,8-trienylfuran-2-one
SMILESCCCCCC=CCC=CCC=CC[C@@]1(OC)C=CC(=O)O1
InChIInChI=1S/C19H28O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21-2)17-15-18(20)22-19/h7-8,10-11,13-15,17H,3-6,9,12,16H2,1-2H3/t19-/m0/s1
InChIKeyCNMJVHJGBMQNPN-IBGZPJMESA-N
XLogP4.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methoxy-5-tetradeca-2,5,8-trienylfuran-2-one?
The IUPAC name of (5S)-5-methoxy-5-tetradeca-2,5,8-trienylfuran-2-one (CID 71367577) is (5S)-5-methoxy-5-tetradeca-2,5,8-trienylfuran-2-one.
What is the SMILES notation for (5S)-5-methoxy-5-tetradeca-2,5,8-trienylfuran-2-one?
The canonical SMILES for (5S)-5-methoxy-5-tetradeca-2,5,8-trienylfuran-2-one is CCCCCC=CCC=CCC=CC[C@@]1(OC)C=CC(=O)O1.
What is the InChIKey of (5S)-5-methoxy-5-tetradeca-2,5,8-trienylfuran-2-one?
The InChIKey is CNMJVHJGBMQNPN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21-2)17-15-18(20)22-19/h7-8,10-11,13-15,17H,3-6,9,12,16H2,1-2H3/t19-/m0/s1.
What are the key properties of (5S)-5-methoxy-5-tetradeca-2,5,8-trienylfuran-2-one?
(5S)-5-methoxy-5-tetradeca-2,5,8-trienylfuran-2-one has a molecular weight of 304.43 g/mol, XLogP of 4.86, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methoxy-5-tetradeca-2,5,8-trienylfuran-2-one is sourced from PubChem (CID 71367577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).