(2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,7]undecanyl) acetate

C17H28O2 — CID 122505784

IUPAC(2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,7]undecanyl) acetate
SMILESCC(=O)OC1(C)CCC23CC12C(C)(C)CCCC3C
InChIInChI=1S/C17H28O2/c1-12-7-6-8-14(3,4)17-11-16(12,17)10-9-15(17,5)19-13(2)18/h12H,6-11H2,1-5H3
InChIKeyPVIZTTXJZNUIIT-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.32
Rot. Bonds1

About (2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,7]undecanyl) acetate

(2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,7]undecanyl) acetate (PubChem CID 122505784) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,7]undecanyl) acetate.

Molecular Properties

Compound Name(2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,7]undecanyl) acetate
PubChem CID122505784
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,7]undecanyl) acetate
SMILESCC(=O)OC1(C)CCC23CC12C(C)(C)CCCC3C
InChIInChI=1S/C17H28O2/c1-12-7-6-8-14(3,4)17-11-16(12,17)10-9-15(17,5)19-13(2)18/h12H,6-11H2,1-5H3
InChIKeyPVIZTTXJZNUIIT-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,7]undecanyl) acetate?
The IUPAC name of (2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,7]undecanyl) acetate (CID 122505784) is (2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,7]undecanyl) acetate.
What is the SMILES notation for (2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,7]undecanyl) acetate?
The canonical SMILES for (2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,7]undecanyl) acetate is CC(=O)OC1(C)CCC23CC12C(C)(C)CCCC3C.
What is the InChIKey of (2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,7]undecanyl) acetate?
The InChIKey is PVIZTTXJZNUIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-12-7-6-8-14(3,4)17-11-16(12,17)10-9-15(17,5)19-13(2)18/h12H,6-11H2,1-5H3.
What are the key properties of (2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,7]undecanyl) acetate?
(2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,7]undecanyl) acetate has a molecular weight of 264.41 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,7]undecanyl) acetate is sourced from PubChem (CID 122505784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).