[(6E)-8-hydroxy-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-5-yl] N,N-dimethylcarbamate

C12H19NO5 — CID 90183038

IUPAC[(6E)-8-hydroxy-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-5-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1/C=C\C(O)CC2OCOC2C1
InChIInChI=1S/C12H19NO5/c1-13(2)12(15)18-9-4-3-8(14)5-10-11(6-9)17-7-16-10/h3-4,8-11,14H,5-7H2,1-2H3/b4-3-
InChIKeyUQMWXRFOUGISHB-ARJAWSKDSA-N
MW257.29 g/mol
LogP0.51
Rot. Bonds1

About [(6E)-8-hydroxy-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-5-yl] N,N-dimethylcarbamate

[(6E)-8-hydroxy-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-5-yl] N,N-dimethylcarbamate (PubChem CID 90183038) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is [(6E)-8-hydroxy-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-5-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(6E)-8-hydroxy-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-5-yl] N,N-dimethylcarbamate
PubChem CID90183038
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name[(6E)-8-hydroxy-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-5-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1/C=C\C(O)CC2OCOC2C1
InChIInChI=1S/C12H19NO5/c1-13(2)12(15)18-9-4-3-8(14)5-10-11(6-9)17-7-16-10/h3-4,8-11,14H,5-7H2,1-2H3/b4-3-
InChIKeyUQMWXRFOUGISHB-ARJAWSKDSA-N
XLogP0.51
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(6E)-8-hydroxy-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-5-yl] N,N-dimethylcarbamate 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 [(6E)-8-hydroxy-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-5-yl] N,N-dimethylcarbamate?
The IUPAC name of [(6E)-8-hydroxy-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-5-yl] N,N-dimethylcarbamate (CID 90183038) is [(6E)-8-hydroxy-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-5-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [(6E)-8-hydroxy-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-5-yl] N,N-dimethylcarbamate?
The canonical SMILES for [(6E)-8-hydroxy-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-5-yl] N,N-dimethylcarbamate is CN(C)C(=O)OC1/C=C\C(O)CC2OCOC2C1.
What is the InChIKey of [(6E)-8-hydroxy-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-5-yl] N,N-dimethylcarbamate?
The InChIKey is UQMWXRFOUGISHB-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H19NO5/c1-13(2)12(15)18-9-4-3-8(14)5-10-11(6-9)17-7-16-10/h3-4,8-11,14H,5-7H2,1-2H3/b4-3-.
What are the key properties of [(6E)-8-hydroxy-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-5-yl] N,N-dimethylcarbamate?
[(6E)-8-hydroxy-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-5-yl] N,N-dimethylcarbamate has a molecular weight of 257.29 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E)-8-hydroxy-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-5-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 90183038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).