8-tricyclo[5.2.1.02,6]decanylmethyl acetate

C13H20O2 — CID 102269130

IUPAC8-tricyclo[5.2.1.02,6]decanylmethyl acetate
SMILESCC(=O)OCC1CC2CC1C1CCCC21
InChIInChI=1S/C13H20O2/c1-8(14)15-7-10-5-9-6-13(10)12-4-2-3-11(9)12/h9-13H,2-7H2,1H3
InChIKeyNZRPNXAEGFLETH-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.62
Rot. Bonds2

About 8-tricyclo[5.2.1.02,6]decanylmethyl acetate

8-tricyclo[5.2.1.02,6]decanylmethyl acetate (PubChem CID 102269130) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]decanylmethyl acetate.

Molecular Properties

Compound Name8-tricyclo[5.2.1.02,6]decanylmethyl acetate
PubChem CID102269130
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name8-tricyclo[5.2.1.02,6]decanylmethyl acetate
SMILESCC(=O)OCC1CC2CC1C1CCCC21
InChIInChI=1S/C13H20O2/c1-8(14)15-7-10-5-9-6-13(10)12-4-2-3-11(9)12/h9-13H,2-7H2,1H3
InChIKeyNZRPNXAEGFLETH-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.62
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]decanylmethyl acetate?
The IUPAC name of 8-tricyclo[5.2.1.02,6]decanylmethyl acetate (CID 102269130) is 8-tricyclo[5.2.1.02,6]decanylmethyl acetate.
What is the SMILES notation for 8-tricyclo[5.2.1.02,6]decanylmethyl acetate?
The canonical SMILES for 8-tricyclo[5.2.1.02,6]decanylmethyl acetate is CC(=O)OCC1CC2CC1C1CCCC21.
What is the InChIKey of 8-tricyclo[5.2.1.02,6]decanylmethyl acetate?
The InChIKey is NZRPNXAEGFLETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-8(14)15-7-10-5-9-6-13(10)12-4-2-3-11(9)12/h9-13H,2-7H2,1H3.
What are the key properties of 8-tricyclo[5.2.1.02,6]decanylmethyl acetate?
8-tricyclo[5.2.1.02,6]decanylmethyl acetate has a molecular weight of 208.30 g/mol, XLogP of 2.62, 2 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]decanylmethyl acetate is sourced from PubChem (CID 102269130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).