(8-cyclobutyl-4-tricyclo[5.2.1.02,6]decanyl) propanoate

C17H26O2 — CID 138741347

IUPAC(8-cyclobutyl-4-tricyclo[5.2.1.02,6]decanyl) propanoate
SMILESCCC(=O)OC1CC2C3CC(C4CCC4)C(C3)C2C1
InChIInChI=1S/C17H26O2/c1-2-17(18)19-12-8-14-11-6-13(10-4-3-5-10)15(7-11)16(14)9-12/h10-16H,2-9H2,1H3
InChIKeyIDGQKABUZDBKLV-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.79
Rot. Bonds3

About (8-cyclobutyl-4-tricyclo[5.2.1.02,6]decanyl) propanoate

(8-cyclobutyl-4-tricyclo[5.2.1.02,6]decanyl) propanoate (PubChem CID 138741347) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (8-cyclobutyl-4-tricyclo[5.2.1.02,6]decanyl) propanoate.

Molecular Properties

Compound Name(8-cyclobutyl-4-tricyclo[5.2.1.02,6]decanyl) propanoate
PubChem CID138741347
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(8-cyclobutyl-4-tricyclo[5.2.1.02,6]decanyl) propanoate
SMILESCCC(=O)OC1CC2C3CC(C4CCC4)C(C3)C2C1
InChIInChI=1S/C17H26O2/c1-2-17(18)19-12-8-14-11-6-13(10-4-3-5-10)15(7-11)16(14)9-12/h10-16H,2-9H2,1H3
InChIKeyIDGQKABUZDBKLV-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-cyclobutyl-4-tricyclo[5.2.1.02,6]decanyl) propanoate?
The IUPAC name of (8-cyclobutyl-4-tricyclo[5.2.1.02,6]decanyl) propanoate (CID 138741347) is (8-cyclobutyl-4-tricyclo[5.2.1.02,6]decanyl) propanoate.
What is the SMILES notation for (8-cyclobutyl-4-tricyclo[5.2.1.02,6]decanyl) propanoate?
The canonical SMILES for (8-cyclobutyl-4-tricyclo[5.2.1.02,6]decanyl) propanoate is CCC(=O)OC1CC2C3CC(C4CCC4)C(C3)C2C1.
What is the InChIKey of (8-cyclobutyl-4-tricyclo[5.2.1.02,6]decanyl) propanoate?
The InChIKey is IDGQKABUZDBKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-2-17(18)19-12-8-14-11-6-13(10-4-3-5-10)15(7-11)16(14)9-12/h10-16H,2-9H2,1H3.
What are the key properties of (8-cyclobutyl-4-tricyclo[5.2.1.02,6]decanyl) propanoate?
(8-cyclobutyl-4-tricyclo[5.2.1.02,6]decanyl) propanoate has a molecular weight of 262.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-cyclobutyl-4-tricyclo[5.2.1.02,6]decanyl) propanoate is sourced from PubChem (CID 138741347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).