8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate

C17H26O2 — CID 144690452

IUPAC8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate
SMILESC=CC(C)(CC)C(=O)OC1CC2CC1C1CCCC21
InChIInChI=1S/C17H26O2/c1-4-17(3,5-2)16(18)19-15-10-11-9-14(15)13-8-6-7-12(11)13/h4,11-15H,1,5-10H2,2-3H3
InChIKeyULUJMUPOQKYJCE-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.96
Rot. Bonds4

About 8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate

8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate (PubChem CID 144690452) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate.

Molecular Properties

Compound Name8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate
PubChem CID144690452
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate
SMILESC=CC(C)(CC)C(=O)OC1CC2CC1C1CCCC21
InChIInChI=1S/C17H26O2/c1-4-17(3,5-2)16(18)19-15-10-11-9-14(15)13-8-6-7-12(11)13/h4,11-15H,1,5-10H2,2-3H3
InChIKeyULUJMUPOQKYJCE-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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[5,6-bis(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-ethyl-2,3-dimethylbutanoate
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8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate
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Frequently Asked Questions

What is the IUPAC name of 8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate?
The IUPAC name of 8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate (CID 144690452) is 8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate.
What is the SMILES notation for 8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate?
The canonical SMILES for 8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate is C=CC(C)(CC)C(=O)OC1CC2CC1C1CCCC21.
What is the InChIKey of 8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate?
The InChIKey is ULUJMUPOQKYJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-4-17(3,5-2)16(18)19-15-10-11-9-14(15)13-8-6-7-12(11)13/h4,11-15H,1,5-10H2,2-3H3.
What are the key properties of 8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate?
8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate has a molecular weight of 262.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate is sourced from PubChem (CID 144690452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).