dimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate

C17H24O6 — CID 4558807

IUPACdimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate
SMILESCOC(=O)C1=CC(O)C23CC1C(C)(CO)C2CCC3C(=O)OC
InChIInChI=1S/C17H24O6/c1-16(8-18)11-7-17(13(19)6-9(11)14(20)22-2)10(15(21)23-3)4-5-12(16)17/h6,10-13,18-19H,4-5,7-8H2,1-3H3
InChIKeyRPRKMIRJBCDBPO-UHFFFAOYSA-N
MW324.37 g/mol
LogP0.66
Rot. Bonds3

About dimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate

dimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate (PubChem CID 4558807) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is dimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate.

Molecular Properties

Compound Namedimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate
PubChem CID4558807
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Namedimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate
SMILESCOC(=O)C1=CC(O)C23CC1C(C)(CO)C2CCC3C(=O)OC
InChIInChI=1S/C17H24O6/c1-16(8-18)11-7-17(13(19)6-9(11)14(20)22-2)10(15(21)23-3)4-5-12(16)17/h6,10-13,18-19H,4-5,7-8H2,1-3H3
InChIKeyRPRKMIRJBCDBPO-UHFFFAOYSA-N
XLogP0.66
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze dimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate 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 dimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate?
The IUPAC name of dimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate (CID 4558807) is dimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate.
What is the SMILES notation for dimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate?
The canonical SMILES for dimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate is COC(=O)C1=CC(O)C23CC1C(C)(CO)C2CCC3C(=O)OC.
What is the InChIKey of dimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate?
The InChIKey is RPRKMIRJBCDBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O6/c1-16(8-18)11-7-17(13(19)6-9(11)14(20)22-2)10(15(21)23-3)4-5-12(16)17/h6,10-13,18-19H,4-5,7-8H2,1-3H3.
What are the key properties of dimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate?
dimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate has a molecular weight of 324.37 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate is sourced from PubChem (CID 4558807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).