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

C14H22O2 — CID 126489359

IUPAC(4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate
SMILESCC(=O)OCC1CC2CC1C1CC(C)CC21
InChIInChI=1S/C14H22O2/c1-8-3-12-10-5-11(7-16-9(2)15)13(6-10)14(12)4-8/h8,10-14H,3-7H2,1-2H3
InChIKeyWGLFXFJQBQIMJU-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.87
Rot. Bonds2

About (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate

(4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate (PubChem CID 126489359) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate.

Molecular Properties

Compound Name(4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate
PubChem CID126489359
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate
SMILESCC(=O)OCC1CC2CC1C1CC(C)CC21
InChIInChI=1S/C14H22O2/c1-8-3-12-10-5-11(7-16-9(2)15)13(6-10)14(12)4-8/h8,10-14H,3-7H2,1-2H3
InChIKeyWGLFXFJQBQIMJU-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate?
The IUPAC name of (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate (CID 126489359) is (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate.
What is the SMILES notation for (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate?
The canonical SMILES for (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate is CC(=O)OCC1CC2CC1C1CC(C)CC21.
What is the InChIKey of (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate?
The InChIKey is WGLFXFJQBQIMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-8-3-12-10-5-11(7-16-9(2)15)13(6-10)14(12)4-8/h8,10-14H,3-7H2,1-2H3.
What are the key properties of (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate?
(4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate has a molecular weight of 222.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate is sourced from PubChem (CID 126489359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).