(1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one

C15H24O — CID 15973276

IUPAC(1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one
SMILESC[C@@H]1C(=O)CC[C@@]2(C)[C@@H]3CC[C@@]12CC3(C)C
InChIInChI=1S/C15H24O/c1-10-11(16)5-7-14(4)12-6-8-15(10,14)9-13(12,2)3/h10,12H,5-9H2,1-4H3/t10-,12-,14+,15-/m1/s1
InChIKeyPUADBCJNLHZJIS-WAZAZEMKSA-N
MW220.36 g/mol
LogP3.82
Rot. Bonds

About (1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one

(1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one (PubChem CID 15973276) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one.

Molecular Properties

Compound Name(1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one
PubChem CID15973276
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one
SMILESC[C@@H]1C(=O)CC[C@@]2(C)[C@@H]3CC[C@@]12CC3(C)C
InChIInChI=1S/C15H24O/c1-10-11(16)5-7-14(4)12-6-8-15(10,14)9-13(12,2)3/h10,12H,5-9H2,1-4H3/t10-,12-,14+,15-/m1/s1
InChIKeyPUADBCJNLHZJIS-WAZAZEMKSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one with MolForge

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Related Compounds

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2,3,3,4,4-pentamethylcyclohexan-1-one
CID 130436364
4,4a,6a,6b,8a,11,11,14b-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-one
CID 162844474
(2aS,4aR,8aS)-2,2,4a-trimethyl-1,2a,3,4,6,7-hexahydrocyclobuta[i]indene-5,8-dione
CID 6558361
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CID 143736964
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CID 163011728
(2aR,5aR,9aS)-5a-methyl-2,2a,4,5,6,7,8,9-octahydro-1H-cyclobuta[j]naphthalen-3-one
CID 14759938
(2aS,4aR,5R,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-5-ol
CID 11085340
3a,4-dimethyl-2,3,4,5,6,6a-hexahydropentalen-1-one
CID 130038182
trans-(2R,3R)-3-ethyl-3-hydroxy-2,4,4-trimethylcyclohexan-1-one
CID 167092961
(4S,4aS,6aR,6aR,6bR,8aS,12aR,14aR,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
CID 124784535

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one?
The IUPAC name of (1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one (CID 15973276) is (1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one.
What is the SMILES notation for (1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one?
The canonical SMILES for (1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one is C[C@@H]1C(=O)CC[C@@]2(C)[C@@H]3CC[C@@]12CC3(C)C.
What is the InChIKey of (1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one?
The InChIKey is PUADBCJNLHZJIS-WAZAZEMKSA-N. The full InChI is InChI=1S/C15H24O/c1-10-11(16)5-7-14(4)12-6-8-15(10,14)9-13(12,2)3/h10,12H,5-9H2,1-4H3/t10-,12-,14+,15-/m1/s1.
What are the key properties of (1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one?
(1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one has a molecular weight of 220.36 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one is sourced from PubChem (CID 15973276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).