(1R,2R,3E,7S,11E,13S,15S)-7-ethenyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one

C17H24O4 — CID 71762092

IUPAC(1R,2R,3E,7S,11E,13S,15S)-7-ethenyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
SMILESC=C[C@@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C17H24O4/c1-2-14-7-5-3-4-6-12-10-13(18)11-15(12)16(19)8-9-17(20)21-14/h2,4,6,8-9,12-16,18-19H,1,3,5,7,10-11H2/b6-4+,9-8+/t12-,13+,14-,15-,16-/m1/s1
InChIKeyWELPQYPQVLEGSI-IPMAJPOHSA-N
MW292.38 g/mol
LogP2.13
Rot. Bonds1

About (1R,2R,3E,7S,11E,13S,15S)-7-ethenyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one

(1R,2R,3E,7S,11E,13S,15S)-7-ethenyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one (PubChem CID 71762092) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (1R,2R,3E,7S,11E,13S,15S)-7-ethenyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one.

Molecular Properties

Compound Name(1R,2R,3E,7S,11E,13S,15S)-7-ethenyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
PubChem CID71762092
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(1R,2R,3E,7S,11E,13S,15S)-7-ethenyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
SMILESC=C[C@@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C17H24O4/c1-2-14-7-5-3-4-6-12-10-13(18)11-15(12)16(19)8-9-17(20)21-14/h2,4,6,8-9,12-16,18-19H,1,3,5,7,10-11H2/b6-4+,9-8+/t12-,13+,14-,15-,16-/m1/s1
InChIKeyWELPQYPQVLEGSI-IPMAJPOHSA-N
XLogP2.13
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2R,3E,7S,11E,13S,15S)-7-ethenyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3E,7S,11E,13S,15S)-7-ethenyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one?
The IUPAC name of (1R,2R,3E,7S,11E,13S,15S)-7-ethenyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one (CID 71762092) is (1R,2R,3E,7S,11E,13S,15S)-7-ethenyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one.
What is the SMILES notation for (1R,2R,3E,7S,11E,13S,15S)-7-ethenyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one?
The canonical SMILES for (1R,2R,3E,7S,11E,13S,15S)-7-ethenyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one is C=C[C@@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1.
What is the InChIKey of (1R,2R,3E,7S,11E,13S,15S)-7-ethenyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one?
The InChIKey is WELPQYPQVLEGSI-IPMAJPOHSA-N. The full InChI is InChI=1S/C17H24O4/c1-2-14-7-5-3-4-6-12-10-13(18)11-15(12)16(19)8-9-17(20)21-14/h2,4,6,8-9,12-16,18-19H,1,3,5,7,10-11H2/b6-4+,9-8+/t12-,13+,14-,15-,16-/m1/s1.
What are the key properties of (1R,2R,3E,7S,11E,13S,15S)-7-ethenyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one?
(1R,2R,3E,7S,11E,13S,15S)-7-ethenyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one has a molecular weight of 292.38 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3E,7S,11E,13S,15S)-7-ethenyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one is sourced from PubChem (CID 71762092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).