8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylpropanoate

C15H24O2 — CID 126760740

IUPAC8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CC2CC1C1CCCC21
InChIInChI=1S/C15H24O2/c1-15(2,3)14(16)17-13-8-9-7-12(13)11-6-4-5-10(9)11/h9-13H,4-8H2,1-3H3
InChIKeyLVBHKOSRBSEZPR-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.40
Rot. Bonds1

About 8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylpropanoate

8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylpropanoate (PubChem CID 126760740) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylpropanoate
PubChem CID126760740
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CC2CC1C1CCCC21
InChIInChI=1S/C15H24O2/c1-15(2,3)14(16)17-13-8-9-7-12(13)11-6-4-5-10(9)11/h9-13H,4-8H2,1-3H3
InChIKeyLVBHKOSRBSEZPR-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylpropanoate?
The IUPAC name of 8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylpropanoate (CID 126760740) is 8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylpropanoate.
What is the SMILES notation for 8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylpropanoate?
The canonical SMILES for 8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1CC2CC1C1CCCC21.
What is the InChIKey of 8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylpropanoate?
The InChIKey is LVBHKOSRBSEZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-15(2,3)14(16)17-13-8-9-7-12(13)11-6-4-5-10(9)11/h9-13H,4-8H2,1-3H3.
What are the key properties of 8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylpropanoate?
8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylpropanoate has a molecular weight of 236.35 g/mol, XLogP of 3.40, 1 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 2,2-dimethylpropanoate is sourced from PubChem (CID 126760740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).