(15S,16S)-3,18-dioxatricyclo[13.5.1.016,20]henicos-1(20)-en-21-one

C19H30O3 — CID 166441852

IUPAC(15S,16S)-3,18-dioxatricyclo[13.5.1.016,20]henicos-1(20)-en-21-one
SMILESO=C1C2=C3COC[C@H]3[C@@H]1CCCCCCCCCCCOC2
InChIInChI=1S/C19H30O3/c20-19-15-10-8-6-4-2-1-3-5-7-9-11-21-14-18(19)17-13-22-12-16(15)17/h15-16H,1-14H2/t15-,16-/m0/s1
InChIKeyRDCHNHAJNAXZGG-HOTGVXAUSA-N
MW306.45 g/mol
LogP4.06
Rot. Bonds

About (15S,16S)-3,18-dioxatricyclo[13.5.1.016,20]henicos-1(20)-en-21-one

(15S,16S)-3,18-dioxatricyclo[13.5.1.016,20]henicos-1(20)-en-21-one (PubChem CID 166441852) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is (15S,16S)-3,18-dioxatricyclo[13.5.1.016,20]henicos-1(20)-en-21-one.

Molecular Properties

Compound Name(15S,16S)-3,18-dioxatricyclo[13.5.1.016,20]henicos-1(20)-en-21-one
PubChem CID166441852
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name(15S,16S)-3,18-dioxatricyclo[13.5.1.016,20]henicos-1(20)-en-21-one
SMILESO=C1C2=C3COC[C@H]3[C@@H]1CCCCCCCCCCCOC2
InChIInChI=1S/C19H30O3/c20-19-15-10-8-6-4-2-1-3-5-7-9-11-21-14-18(19)17-13-22-12-16(15)17/h15-16H,1-14H2/t15-,16-/m0/s1
InChIKeyRDCHNHAJNAXZGG-HOTGVXAUSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24779709
3-Deoxy-11,13-dihydroisosecotanapartholide
CID 12097068
(3S,6aS)-3-cyclohexyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 49817426
3-Methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one
CID 162399469
(3R,6aR)-3-pentan-3-yl-4-(trifluoromethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 71507722
1H-Cyclopenta[c]furan-5(3H)-one, 6-ethyl-3a,4-dihydro-
CID 11665441
4-Pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 10559734
4-Butyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 11355850
5-Pentyl-1,3,5,6-tetrahydrocyclopenta[c]furan-4-one
CID 91447347
1-[(3R)-3-methyl-2-(3-propan-2-yloxolan-2-yl)cyclopenten-1-yl]ethanone
CID 168136872
(3aR,6aR)-5-methyl-6-propan-2-yl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-4-one
CID 10888521
dimethyl (1S,2R,6R,7R)-3,4-diethyl-7-methyl-5-oxo-10-oxatricyclo[5.2.1.02,6]deca-3,8-diene-8,9-dicarboxylate
CID 11232905

Frequently Asked Questions

What is the IUPAC name of (15S,16S)-3,18-dioxatricyclo[13.5.1.016,20]henicos-1(20)-en-21-one?
The IUPAC name of (15S,16S)-3,18-dioxatricyclo[13.5.1.016,20]henicos-1(20)-en-21-one (CID 166441852) is (15S,16S)-3,18-dioxatricyclo[13.5.1.016,20]henicos-1(20)-en-21-one.
What is the SMILES notation for (15S,16S)-3,18-dioxatricyclo[13.5.1.016,20]henicos-1(20)-en-21-one?
The canonical SMILES for (15S,16S)-3,18-dioxatricyclo[13.5.1.016,20]henicos-1(20)-en-21-one is O=C1C2=C3COC[C@H]3[C@@H]1CCCCCCCCCCCOC2.
What is the InChIKey of (15S,16S)-3,18-dioxatricyclo[13.5.1.016,20]henicos-1(20)-en-21-one?
The InChIKey is RDCHNHAJNAXZGG-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H30O3/c20-19-15-10-8-6-4-2-1-3-5-7-9-11-21-14-18(19)17-13-22-12-16(15)17/h15-16H,1-14H2/t15-,16-/m0/s1.
What are the key properties of (15S,16S)-3,18-dioxatricyclo[13.5.1.016,20]henicos-1(20)-en-21-one?
(15S,16S)-3,18-dioxatricyclo[13.5.1.016,20]henicos-1(20)-en-21-one has a molecular weight of 306.45 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (15S,16S)-3,18-dioxatricyclo[13.5.1.016,20]henicos-1(20)-en-21-one is sourced from PubChem (CID 166441852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).