tetraethyl tetracyclo[6.3.1.01,8.02,4]dodecane-6,6,10,10-tetracarboxylate

C24H34O8 — CID 85383823

IUPACtetraethyl tetracyclo[6.3.1.01,8.02,4]dodecane-6,6,10,10-tetracarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC2CC2C23CC(C(=O)OCC)(C(=O)OCC)CC2(C1)C3
InChIInChI=1S/C24H34O8/c1-5-29-17(25)22(18(26)30-6-2)10-15-9-16(15)24-13-21(24,11-22)12-23(14-24,19(27)31-7-3)20(28)32-8-4/h15-16H,5-14H2,1-4H3
InChIKeyQGDMIORPYVIEBS-UHFFFAOYSA-N
MW450.53 g/mol
LogP2.81
Rot. Bonds8

About tetraethyl tetracyclo[6.3.1.01,8.02,4]dodecane-6,6,10,10-tetracarboxylate

tetraethyl tetracyclo[6.3.1.01,8.02,4]dodecane-6,6,10,10-tetracarboxylate (PubChem CID 85383823) has the molecular formula C24H34O8 and a molecular weight of 450.53 g/mol. Its IUPAC name is tetraethyl tetracyclo[6.3.1.01,8.02,4]dodecane-6,6,10,10-tetracarboxylate.

Molecular Properties

Compound Nametetraethyl tetracyclo[6.3.1.01,8.02,4]dodecane-6,6,10,10-tetracarboxylate
PubChem CID85383823
Molecular FormulaC24H34O8
Molecular Weight450.53 g/mol
Exact Mass450.23
IUPAC Nametetraethyl tetracyclo[6.3.1.01,8.02,4]dodecane-6,6,10,10-tetracarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC2CC2C23CC(C(=O)OCC)(C(=O)OCC)CC2(C1)C3
InChIInChI=1S/C24H34O8/c1-5-29-17(25)22(18(26)30-6-2)10-15-9-16(15)24-13-21(24,11-22)12-23(14-24,19(27)31-7-3)20(28)32-8-4/h15-16H,5-14H2,1-4H3
InChIKeyQGDMIORPYVIEBS-UHFFFAOYSA-N
XLogP2.81
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetraethyl tetracyclo[6.3.1.01,8.02,4]dodecane-6,6,10,10-tetracarboxylate?
The IUPAC name of tetraethyl tetracyclo[6.3.1.01,8.02,4]dodecane-6,6,10,10-tetracarboxylate (CID 85383823) is tetraethyl tetracyclo[6.3.1.01,8.02,4]dodecane-6,6,10,10-tetracarboxylate.
What is the SMILES notation for tetraethyl tetracyclo[6.3.1.01,8.02,4]dodecane-6,6,10,10-tetracarboxylate?
The canonical SMILES for tetraethyl tetracyclo[6.3.1.01,8.02,4]dodecane-6,6,10,10-tetracarboxylate is CCOC(=O)C1(C(=O)OCC)CC2CC2C23CC(C(=O)OCC)(C(=O)OCC)CC2(C1)C3.
What is the InChIKey of tetraethyl tetracyclo[6.3.1.01,8.02,4]dodecane-6,6,10,10-tetracarboxylate?
The InChIKey is QGDMIORPYVIEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O8/c1-5-29-17(25)22(18(26)30-6-2)10-15-9-16(15)24-13-21(24,11-22)12-23(14-24,19(27)31-7-3)20(28)32-8-4/h15-16H,5-14H2,1-4H3.
What are the key properties of tetraethyl tetracyclo[6.3.1.01,8.02,4]dodecane-6,6,10,10-tetracarboxylate?
tetraethyl tetracyclo[6.3.1.01,8.02,4]dodecane-6,6,10,10-tetracarboxylate has a molecular weight of 450.53 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethyl tetracyclo[6.3.1.01,8.02,4]dodecane-6,6,10,10-tetracarboxylate is sourced from PubChem (CID 85383823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).