(1R,15R,16S,20S)-2,5,8,11,14-pentaoxatricyclo[13.6.0.016,20]henicos-17-en-19-one

C16H24O6 — CID 162411989

IUPAC(1R,15R,16S,20S)-2,5,8,11,14-pentaoxatricyclo[13.6.0.016,20]henicos-17-en-19-one
SMILESO=C1C=C[C@@H]2[C@H]3OCCOCCOCCOCCO[C@@H]3C[C@H]12
InChIInChI=1S/C16H24O6/c17-14-2-1-12-13(14)11-15-16(12)22-10-8-20-6-4-18-3-5-19-7-9-21-15/h1-2,12-13,15-16H,3-11H2/t12-,13-,15+,16+/m0/s1
InChIKeyHPFINUMFUJTQTA-WMHQRMGPSA-N
MW312.36 g/mol
LogP0.60
Rot. Bonds

About (1R,15R,16S,20S)-2,5,8,11,14-pentaoxatricyclo[13.6.0.016,20]henicos-17-en-19-one

(1R,15R,16S,20S)-2,5,8,11,14-pentaoxatricyclo[13.6.0.016,20]henicos-17-en-19-one (PubChem CID 162411989) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is (1R,15R,16S,20S)-2,5,8,11,14-pentaoxatricyclo[13.6.0.016,20]henicos-17-en-19-one.

Molecular Properties

Compound Name(1R,15R,16S,20S)-2,5,8,11,14-pentaoxatricyclo[13.6.0.016,20]henicos-17-en-19-one
PubChem CID162411989
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name(1R,15R,16S,20S)-2,5,8,11,14-pentaoxatricyclo[13.6.0.016,20]henicos-17-en-19-one
SMILESO=C1C=C[C@@H]2[C@H]3OCCOCCOCCOCCO[C@@H]3C[C@H]12
InChIInChI=1S/C16H24O6/c17-14-2-1-12-13(14)11-15-16(12)22-10-8-20-6-4-18-3-5-19-7-9-21-15/h1-2,12-13,15-16H,3-11H2/t12-,13-,15+,16+/m0/s1
InChIKeyHPFINUMFUJTQTA-WMHQRMGPSA-N
XLogP0.60
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-Dimethoxy-1,2,3,3a,4,7a-hexahydroinden-5-one
CID 91513877

Frequently Asked Questions

What is the IUPAC name of (1R,15R,16S,20S)-2,5,8,11,14-pentaoxatricyclo[13.6.0.016,20]henicos-17-en-19-one?
The IUPAC name of (1R,15R,16S,20S)-2,5,8,11,14-pentaoxatricyclo[13.6.0.016,20]henicos-17-en-19-one (CID 162411989) is (1R,15R,16S,20S)-2,5,8,11,14-pentaoxatricyclo[13.6.0.016,20]henicos-17-en-19-one.
What is the SMILES notation for (1R,15R,16S,20S)-2,5,8,11,14-pentaoxatricyclo[13.6.0.016,20]henicos-17-en-19-one?
The canonical SMILES for (1R,15R,16S,20S)-2,5,8,11,14-pentaoxatricyclo[13.6.0.016,20]henicos-17-en-19-one is O=C1C=C[C@@H]2[C@H]3OCCOCCOCCOCCO[C@@H]3C[C@H]12.
What is the InChIKey of (1R,15R,16S,20S)-2,5,8,11,14-pentaoxatricyclo[13.6.0.016,20]henicos-17-en-19-one?
The InChIKey is HPFINUMFUJTQTA-WMHQRMGPSA-N. The full InChI is InChI=1S/C16H24O6/c17-14-2-1-12-13(14)11-15-16(12)22-10-8-20-6-4-18-3-5-19-7-9-21-15/h1-2,12-13,15-16H,3-11H2/t12-,13-,15+,16+/m0/s1.
What are the key properties of (1R,15R,16S,20S)-2,5,8,11,14-pentaoxatricyclo[13.6.0.016,20]henicos-17-en-19-one?
(1R,15R,16S,20S)-2,5,8,11,14-pentaoxatricyclo[13.6.0.016,20]henicos-17-en-19-one has a molecular weight of 312.36 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,15R,16S,20S)-2,5,8,11,14-pentaoxatricyclo[13.6.0.016,20]henicos-17-en-19-one is sourced from PubChem (CID 162411989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).