[(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate

C18H28O2 — CID 166917665

IUPAC[(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate
SMILESCC(=O)OCC1CCC(C)(C)C23C[C@H]4CC2[C@]13C4(C)C
InChIInChI=1S/C18H28O2/c1-11(19)20-10-12-6-7-15(2,3)17-9-13-8-14(17)18(12,17)16(13,4)5/h12-14H,6-10H2,1-5H3/t12?,13-,14?,17?,18+/m1/s1
InChIKeyANPXCNWSCGYEMA-FMCHPVTKSA-N
MW276.42 g/mol
LogP4.04
Rot. Bonds2

About [(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate

[(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate (PubChem CID 166917665) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is [(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate.

Molecular Properties

Compound Name[(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate
PubChem CID166917665
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name[(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate
SMILESCC(=O)OCC1CCC(C)(C)C23C[C@H]4CC2[C@]13C4(C)C
InChIInChI=1S/C18H28O2/c1-11(19)20-10-12-6-7-15(2,3)17-9-13-8-14(17)18(12,17)16(13,4)5/h12-14H,6-10H2,1-5H3/t12?,13-,14?,17?,18+/m1/s1
InChIKeyANPXCNWSCGYEMA-FMCHPVTKSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,6S,8S,10S)-5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undecan-2-ol
CID 7074697
[3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate
CID 20578019
[(1S,3aS,5S,7aR)-3a-hydroxy-5-(4-hydroxycyclohexyl)-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]methyl acetate
CID 11141892
[(1R,2S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methyl acetate
CID 7054470
6-oxaspiro[2.5]octan-2-ylmethyl acetate
CID 131042123
(7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1H-inden-1-yl)methyl acetate
CID 13062720
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
CID 67977655
(1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate
CID 143448424
cyclopropylmethyl acetate
CID 538333
[(3R,5S,6R,8S,10R)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-yl]methyl acetate
CID 102057388
[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate
CID 134830529

Frequently Asked Questions

What is the IUPAC name of [(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate?
The IUPAC name of [(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate (CID 166917665) is [(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate.
What is the SMILES notation for [(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate?
The canonical SMILES for [(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate is CC(=O)OCC1CCC(C)(C)C23C[C@H]4CC2[C@]13C4(C)C.
What is the InChIKey of [(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate?
The InChIKey is ANPXCNWSCGYEMA-FMCHPVTKSA-N. The full InChI is InChI=1S/C18H28O2/c1-11(19)20-10-12-6-7-15(2,3)17-9-13-8-14(17)18(12,17)16(13,4)5/h12-14H,6-10H2,1-5H3/t12?,13-,14?,17?,18+/m1/s1.
What are the key properties of [(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate?
[(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate has a molecular weight of 276.42 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate is sourced from PubChem (CID 166917665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).