(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) butanoate

C16H24O4 — CID 132993133

IUPAC(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) butanoate
SMILESCCCC(=O)OC1CCC2C3CC(CC3OC(C)=O)C12
InChIInChI=1S/C16H24O4/c1-3-4-15(18)20-13-6-5-11-12-7-10(16(11)13)8-14(12)19-9(2)17/h10-14,16H,3-8H2,1-2H3
InChIKeyBTBIKFKJFWIEOZ-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.70
Rot. Bonds4

About (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) butanoate

(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) butanoate (PubChem CID 132993133) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) butanoate.

Molecular Properties

Compound Name(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) butanoate
PubChem CID132993133
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) butanoate
SMILESCCCC(=O)OC1CCC2C3CC(CC3OC(C)=O)C12
InChIInChI=1S/C16H24O4/c1-3-4-15(18)20-13-6-5-11-12-7-10(16(11)13)8-14(12)19-9(2)17/h10-14,16H,3-8H2,1-2H3
InChIKeyBTBIKFKJFWIEOZ-UHFFFAOYSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) butanoate?
The IUPAC name of (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) butanoate (CID 132993133) is (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) butanoate.
What is the SMILES notation for (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) butanoate?
The canonical SMILES for (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) butanoate is CCCC(=O)OC1CCC2C3CC(CC3OC(C)=O)C12.
What is the InChIKey of (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) butanoate?
The InChIKey is BTBIKFKJFWIEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-3-4-15(18)20-13-6-5-11-12-7-10(16(11)13)8-14(12)19-9(2)17/h10-14,16H,3-8H2,1-2H3.
What are the key properties of (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) butanoate?
(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) butanoate has a molecular weight of 280.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) butanoate is sourced from PubChem (CID 132993133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).