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

C14H20O4 — CID 102182579

IUPAC(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) acetate
SMILESCC(=O)OC1CC2CC1C1CCC(OC(C)=O)C21
InChIInChI=1S/C14H20O4/c1-7(15)17-12-4-3-10-11-5-9(14(10)12)6-13(11)18-8(2)16/h9-14H,3-6H2,1-2H3
InChIKeyIIRFCDAOQGOKGY-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.92
Rot. Bonds2

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

(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) acetate (PubChem CID 102182579) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) acetate.

Molecular Properties

Compound Name(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) acetate
PubChem CID102182579
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) acetate
SMILESCC(=O)OC1CC2CC1C1CCC(OC(C)=O)C21
InChIInChI=1S/C14H20O4/c1-7(15)17-12-4-3-10-11-5-9(14(10)12)6-13(11)18-8(2)16/h9-14H,3-6H2,1-2H3
InChIKeyIIRFCDAOQGOKGY-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.92
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) acetate?
The IUPAC name of (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) acetate (CID 102182579) is (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) acetate.
What is the SMILES notation for (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) acetate?
The canonical SMILES for (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) acetate is CC(=O)OC1CC2CC1C1CCC(OC(C)=O)C21.
What is the InChIKey of (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) acetate?
The InChIKey is IIRFCDAOQGOKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-7(15)17-12-4-3-10-11-5-9(14(10)12)6-13(11)18-8(2)16/h9-14H,3-6H2,1-2H3.
What are the key properties of (8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) acetate?
(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) acetate has a molecular weight of 252.31 g/mol, XLogP of 1.92, 2 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) acetate is sourced from PubChem (CID 102182579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).