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

C13H20O2 — CID 134222470

IUPAC(3-methyl-8-tricyclo[5.2.1.02,6]decanyl) acetate
SMILESCC(=O)OC1CC2CC1C1CCC(C)C21
InChIInChI=1S/C13H20O2/c1-7-3-4-10-11-5-9(13(7)10)6-12(11)15-8(2)14/h7,9-13H,3-6H2,1-2H3
InChIKeyNZZXRJCHPLSBAX-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.62
Rot. Bonds1

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

(3-methyl-8-tricyclo[5.2.1.02,6]decanyl) acetate (PubChem CID 134222470) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (3-methyl-8-tricyclo[5.2.1.02,6]decanyl) acetate.

Molecular Properties

Compound Name(3-methyl-8-tricyclo[5.2.1.02,6]decanyl) acetate
PubChem CID134222470
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(3-methyl-8-tricyclo[5.2.1.02,6]decanyl) acetate
SMILESCC(=O)OC1CC2CC1C1CCC(C)C21
InChIInChI=1S/C13H20O2/c1-7-3-4-10-11-5-9(13(7)10)6-12(11)15-8(2)14/h7,9-13H,3-6H2,1-2H3
InChIKeyNZZXRJCHPLSBAX-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 (3-methyl-8-tricyclo[5.2.1.02,6]decanyl) acetate?
The IUPAC name of (3-methyl-8-tricyclo[5.2.1.02,6]decanyl) acetate (CID 134222470) is (3-methyl-8-tricyclo[5.2.1.02,6]decanyl) acetate.
What is the SMILES notation for (3-methyl-8-tricyclo[5.2.1.02,6]decanyl) acetate?
The canonical SMILES for (3-methyl-8-tricyclo[5.2.1.02,6]decanyl) acetate is CC(=O)OC1CC2CC1C1CCC(C)C21.
What is the InChIKey of (3-methyl-8-tricyclo[5.2.1.02,6]decanyl) acetate?
The InChIKey is NZZXRJCHPLSBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-7-3-4-10-11-5-9(13(7)10)6-12(11)15-8(2)14/h7,9-13H,3-6H2,1-2H3.
What are the key properties of (3-methyl-8-tricyclo[5.2.1.02,6]decanyl) acetate?
(3-methyl-8-tricyclo[5.2.1.02,6]decanyl) acetate has a molecular weight of 208.30 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-8-tricyclo[5.2.1.02,6]decanyl) acetate is sourced from PubChem (CID 134222470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).