(1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]undecanyl) acetate

C17H28O2 — CID 131752165

IUPAC(1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]undecanyl) acetate
SMILESCC(=O)OC1C2(C)CCCC1(C)C1CC(C)(C)CC12
InChIInChI=1S/C17H28O2/c1-11(18)19-14-16(4)7-6-8-17(14,5)13-10-15(2,3)9-12(13)16/h12-14H,6-10H2,1-5H3
InChIKeyUMESJHMLICGCDG-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.18
Rot. Bonds1

About (1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]undecanyl) acetate

(1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]undecanyl) acetate (PubChem CID 131752165) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]undecanyl) acetate.

Molecular Properties

Compound Name(1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]undecanyl) acetate
PubChem CID131752165
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]undecanyl) acetate
SMILESCC(=O)OC1C2(C)CCCC1(C)C1CC(C)(C)CC12
InChIInChI=1S/C17H28O2/c1-11(18)19-14-16(4)7-6-8-17(14,5)13-10-15(2,3)9-12(13)16/h12-14H,6-10H2,1-5H3
InChIKeyUMESJHMLICGCDG-UHFFFAOYSA-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 (1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]undecanyl) acetate?
The IUPAC name of (1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]undecanyl) acetate (CID 131752165) is (1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]undecanyl) acetate.
What is the SMILES notation for (1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]undecanyl) acetate?
The canonical SMILES for (1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]undecanyl) acetate is CC(=O)OC1C2(C)CCCC1(C)C1CC(C)(C)CC12.
What is the InChIKey of (1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]undecanyl) acetate?
The InChIKey is UMESJHMLICGCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-11(18)19-14-16(4)7-6-8-17(14,5)13-10-15(2,3)9-12(13)16/h12-14H,6-10H2,1-5H3.
What are the key properties of (1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]undecanyl) acetate?
(1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]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 (1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]undecanyl) acetate is sourced from PubChem (CID 131752165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).