bis(methyl 3-(ethylcarbamoyloxy)propanoate);tricyclo[5.2.1.02,6]decane

C24H42N2O8 — CID 162020092

IUPACbis(methyl 3-(ethylcarbamoyloxy)propanoate);tricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(C3)C2C1.CCNC(=O)OCCC(=O)OC.CCNC(=O)OCCC(=O)OC
InChIInChI=1S/C10H16.2C7H13NO4/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-3-8-7(10)12-5-4-6(9)11-2/h7-10H,1-6H2;2*3-5H2,1-2H3,(H,8,10)
InChIKeyYUQHMSLEPQNXTJ-UHFFFAOYSA-N
MW486.61 g/mol
LogP3.42
Rot. Bonds8

About bis(methyl 3-(ethylcarbamoyloxy)propanoate);tricyclo[5.2.1.02,6]decane

bis(methyl 3-(ethylcarbamoyloxy)propanoate);tricyclo[5.2.1.02,6]decane (PubChem CID 162020092) has the molecular formula C24H42N2O8 and a molecular weight of 486.61 g/mol. Its IUPAC name is bis(methyl 3-(ethylcarbamoyloxy)propanoate);tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Namebis(methyl 3-(ethylcarbamoyloxy)propanoate);tricyclo[5.2.1.02,6]decane
PubChem CID162020092
Molecular FormulaC24H42N2O8
Molecular Weight486.61 g/mol
Exact Mass486.29
IUPAC Namebis(methyl 3-(ethylcarbamoyloxy)propanoate);tricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(C3)C2C1.CCNC(=O)OCCC(=O)OC.CCNC(=O)OCCC(=O)OC
InChIInChI=1S/C10H16.2C7H13NO4/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-3-8-7(10)12-5-4-6(9)11-2/h7-10H,1-6H2;2*3-5H2,1-2H3,(H,8,10)
InChIKeyYUQHMSLEPQNXTJ-UHFFFAOYSA-N
XLogP3.42
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(methyl 3-(ethylcarbamoyloxy)propanoate);tricyclo[5.2.1.02,6]decane?
The IUPAC name of bis(methyl 3-(ethylcarbamoyloxy)propanoate);tricyclo[5.2.1.02,6]decane (CID 162020092) is bis(methyl 3-(ethylcarbamoyloxy)propanoate);tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for bis(methyl 3-(ethylcarbamoyloxy)propanoate);tricyclo[5.2.1.02,6]decane?
The canonical SMILES for bis(methyl 3-(ethylcarbamoyloxy)propanoate);tricyclo[5.2.1.02,6]decane is C1CC2C3CCC(C3)C2C1.CCNC(=O)OCCC(=O)OC.CCNC(=O)OCCC(=O)OC.
What is the InChIKey of bis(methyl 3-(ethylcarbamoyloxy)propanoate);tricyclo[5.2.1.02,6]decane?
The InChIKey is YUQHMSLEPQNXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.2C7H13NO4/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-3-8-7(10)12-5-4-6(9)11-2/h7-10H,1-6H2;2*3-5H2,1-2H3,(H,8,10).
What are the key properties of bis(methyl 3-(ethylcarbamoyloxy)propanoate);tricyclo[5.2.1.02,6]decane?
bis(methyl 3-(ethylcarbamoyloxy)propanoate);tricyclo[5.2.1.02,6]decane has a molecular weight of 486.61 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methyl 3-(ethylcarbamoyloxy)propanoate);tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 162020092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).