[(2R,5S)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate

C17H28O2 — CID 6482

IUPAC[(2R,5S)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
SMILESCC(=O)OC1(C)CCC23CC1C(C)(C)[C@@H]2CC[C@H]3C
InChIInChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14?,16?,17?/m1/s1
InChIKeyHQKQRXZEXPXXIG-GXTNNVKYSA-N
MW264.41 g/mol
LogP4.18
Rot. Bonds1

About [(2R,5S)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate

[(2R,5S)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate (PubChem CID 6482) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is [(2R,5S)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate.

Molecular Properties

Compound Name[(2R,5S)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
PubChem CID6482
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name[(2R,5S)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
SMILESCC(=O)OC1(C)CCC23CC1C(C)(C)[C@@H]2CC[C@H]3C
InChIInChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14?,16?,17?/m1/s1
InChIKeyHQKQRXZEXPXXIG-GXTNNVKYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate?
The IUPAC name of [(2R,5S)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate (CID 6482) is [(2R,5S)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate.
What is the SMILES notation for [(2R,5S)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate?
The canonical SMILES for [(2R,5S)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate is CC(=O)OC1(C)CCC23CC1C(C)(C)[C@@H]2CC[C@H]3C.
What is the InChIKey of [(2R,5S)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate?
The InChIKey is HQKQRXZEXPXXIG-GXTNNVKYSA-N. The full InChI is InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14?,16?,17?/m1/s1.
What are the key properties of [(2R,5S)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate?
[(2R,5S)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate has a molecular weight of 264.41 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate is sourced from PubChem (CID 6482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).