(1R,4S,5S,6R)-5-dimethoxyphosphoryl-6-methylbicyclo[2.2.1]hept-2-ene

C10H17O3P — CID 102388814

IUPAC(1R,4S,5S,6R)-5-dimethoxyphosphoryl-6-methylbicyclo[2.2.1]hept-2-ene
SMILESCOP(=O)(OC)[C@H]1[C@H](C)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C10H17O3P/c1-7-8-4-5-9(6-8)10(7)14(11,12-2)13-3/h4-5,7-10H,6H2,1-3H3/t7-,8+,9-,10+/m1/s1
InChIKeyJJWSBWBKRSEKNB-RGOKHQFPSA-N
MW216.22 g/mol
LogP2.68
Rot. Bonds3

About (1R,4S,5S,6R)-5-dimethoxyphosphoryl-6-methylbicyclo[2.2.1]hept-2-ene

(1R,4S,5S,6R)-5-dimethoxyphosphoryl-6-methylbicyclo[2.2.1]hept-2-ene (PubChem CID 102388814) has the molecular formula C10H17O3P and a molecular weight of 216.22 g/mol. Its IUPAC name is (1R,4S,5S,6R)-5-dimethoxyphosphoryl-6-methylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1R,4S,5S,6R)-5-dimethoxyphosphoryl-6-methylbicyclo[2.2.1]hept-2-ene
PubChem CID102388814
Molecular FormulaC10H17O3P
Molecular Weight216.22 g/mol
Exact Mass216.09
IUPAC Name(1R,4S,5S,6R)-5-dimethoxyphosphoryl-6-methylbicyclo[2.2.1]hept-2-ene
SMILESCOP(=O)(OC)[C@H]1[C@H](C)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C10H17O3P/c1-7-8-4-5-9(6-8)10(7)14(11,12-2)13-3/h4-5,7-10H,6H2,1-3H3/t7-,8+,9-,10+/m1/s1
InChIKeyJJWSBWBKRSEKNB-RGOKHQFPSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,4S,5S,6R)-5-dimethoxyphosphoryl-6-methylbicyclo[2.2.1]hept-2-ene 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,4S,5S,6R)-5-dimethoxyphosphoryl-6-methylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1R,4S,5S,6R)-5-dimethoxyphosphoryl-6-methylbicyclo[2.2.1]hept-2-ene (CID 102388814) is (1R,4S,5S,6R)-5-dimethoxyphosphoryl-6-methylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1R,4S,5S,6R)-5-dimethoxyphosphoryl-6-methylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1R,4S,5S,6R)-5-dimethoxyphosphoryl-6-methylbicyclo[2.2.1]hept-2-ene is COP(=O)(OC)[C@H]1[C@H](C)[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1R,4S,5S,6R)-5-dimethoxyphosphoryl-6-methylbicyclo[2.2.1]hept-2-ene?
The InChIKey is JJWSBWBKRSEKNB-RGOKHQFPSA-N. The full InChI is InChI=1S/C10H17O3P/c1-7-8-4-5-9(6-8)10(7)14(11,12-2)13-3/h4-5,7-10H,6H2,1-3H3/t7-,8+,9-,10+/m1/s1.
What are the key properties of (1R,4S,5S,6R)-5-dimethoxyphosphoryl-6-methylbicyclo[2.2.1]hept-2-ene?
(1R,4S,5S,6R)-5-dimethoxyphosphoryl-6-methylbicyclo[2.2.1]hept-2-ene has a molecular weight of 216.22 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S,6R)-5-dimethoxyphosphoryl-6-methylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 102388814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).