(1R,2S,5R,6S,10R)-6-ethyl-1,5-dimethyl-16,19-dioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-8,12,14-triene

C23H32O2 — CID 18729260

IUPAC(1R,2S,5R,6S,10R)-6-ethyl-1,5-dimethyl-16,19-dioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-8,12,14-triene
SMILESCC[C@H]1CC=C2[C@@H]3CC=C4C=C5OCCOC5C[C@]4(C)[C@H]3CC[C@@]21C
InChIInChI=1S/C23H32O2/c1-4-15-6-8-18-17-7-5-16-13-20-21(25-12-11-24-20)14-23(16,3)19(17)9-10-22(15,18)2/h5,8,13,15,17,19,21H,4,6-7,9-12,14H2,1-3H3/t15-,17-,19-,21?,22+,23-/m0/s1
InChIKeyJOYMCVXLUZOOAT-XRUZJSPESA-N
MW340.51 g/mol
LogP5.41
Rot. Bonds1

About (1R,2S,5R,6S,10R)-6-ethyl-1,5-dimethyl-16,19-dioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-8,12,14-triene

(1R,2S,5R,6S,10R)-6-ethyl-1,5-dimethyl-16,19-dioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-8,12,14-triene (PubChem CID 18729260) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is (1R,2S,5R,6S,10R)-6-ethyl-1,5-dimethyl-16,19-dioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-8,12,14-triene.

Molecular Properties

Compound Name(1R,2S,5R,6S,10R)-6-ethyl-1,5-dimethyl-16,19-dioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-8,12,14-triene
PubChem CID18729260
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name(1R,2S,5R,6S,10R)-6-ethyl-1,5-dimethyl-16,19-dioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-8,12,14-triene
SMILESCC[C@H]1CC=C2[C@@H]3CC=C4C=C5OCCOC5C[C@]4(C)[C@H]3CC[C@@]21C
InChIInChI=1S/C23H32O2/c1-4-15-6-8-18-17-7-5-16-13-20-21(25-12-11-24-20)14-23(16,3)19(17)9-10-22(15,18)2/h5,8,13,15,17,19,21H,4,6-7,9-12,14H2,1-3H3/t15-,17-,19-,21?,22+,23-/m0/s1
InChIKeyJOYMCVXLUZOOAT-XRUZJSPESA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,5R,6S,10R)-6-ethyl-1,5-dimethyl-16,19-dioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-8,12,14-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,6S,10R)-6-ethyl-1,5-dimethyl-16,19-dioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-8,12,14-triene?
The IUPAC name of (1R,2S,5R,6S,10R)-6-ethyl-1,5-dimethyl-16,19-dioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-8,12,14-triene (CID 18729260) is (1R,2S,5R,6S,10R)-6-ethyl-1,5-dimethyl-16,19-dioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-8,12,14-triene.
What is the SMILES notation for (1R,2S,5R,6S,10R)-6-ethyl-1,5-dimethyl-16,19-dioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-8,12,14-triene?
The canonical SMILES for (1R,2S,5R,6S,10R)-6-ethyl-1,5-dimethyl-16,19-dioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-8,12,14-triene is CC[C@H]1CC=C2[C@@H]3CC=C4C=C5OCCOC5C[C@]4(C)[C@H]3CC[C@@]21C.
What is the InChIKey of (1R,2S,5R,6S,10R)-6-ethyl-1,5-dimethyl-16,19-dioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-8,12,14-triene?
The InChIKey is JOYMCVXLUZOOAT-XRUZJSPESA-N. The full InChI is InChI=1S/C23H32O2/c1-4-15-6-8-18-17-7-5-16-13-20-21(25-12-11-24-20)14-23(16,3)19(17)9-10-22(15,18)2/h5,8,13,15,17,19,21H,4,6-7,9-12,14H2,1-3H3/t15-,17-,19-,21?,22+,23-/m0/s1.
What are the key properties of (1R,2S,5R,6S,10R)-6-ethyl-1,5-dimethyl-16,19-dioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-8,12,14-triene?
(1R,2S,5R,6S,10R)-6-ethyl-1,5-dimethyl-16,19-dioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-8,12,14-triene has a molecular weight of 340.51 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,6S,10R)-6-ethyl-1,5-dimethyl-16,19-dioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-8,12,14-triene is sourced from PubChem (CID 18729260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).