(2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one

C11H16O — CID 135037584

IUPAC(2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one
SMILESC[C@H]1CC2CC1[C@H]1CC(=O)C[C@@H]21
InChIInChI=1S/C11H16O/c1-6-2-7-3-9(6)11-5-8(12)4-10(7)11/h6-7,9-11H,2-5H2,1H3/t6-,7?,9?,10-,11+/m0/s1
InChIKeyYQHWNKORUVCEEK-ZGVHPMBJSA-N
MW164.25 g/mol
LogP2.26
Rot. Bonds

About (2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one

(2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one (PubChem CID 135037584) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one.

Molecular Properties

Compound Name(2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one
PubChem CID135037584
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one
SMILESC[C@H]1CC2CC1[C@H]1CC(=O)C[C@@H]21
InChIInChI=1S/C11H16O/c1-6-2-7-3-9(6)11-5-8(12)4-10(7)11/h6-7,9-11H,2-5H2,1H3/t6-,7?,9?,10-,11+/m0/s1
InChIKeyYQHWNKORUVCEEK-ZGVHPMBJSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,5S,6R)-6-methylbicyclo[3.2.0]heptan-3-one
CID 89088579
tricyclo[5.2.1.02,6]decan-4-one
CID 549023
(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one
CID 102175819
6-methylbicyclo[3.1.0]hexan-3-one
CID 69065203
11-methyltetracyclo[8.2.0.02,4.06,8]dodecane
CID 123240466
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
tricyclo[4.2.0.02,8]octan-4-one
CID 91058293
10-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undec-3(5)-ene
CID 163511436
N,6-dimethylbicyclo[3.2.0]heptan-3-amine
CID 129173155
(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane
CID 59217509
(1S,2S,4R,5R)-2,4-dimethylbicyclo[3.1.0]hexane
CID 172607830
(5S)-2,4-dimethylbicyclo[3.1.0]hexane
CID 142062990

Frequently Asked Questions

What is the IUPAC name of (2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one?
The IUPAC name of (2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one (CID 135037584) is (2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one.
What is the SMILES notation for (2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one?
The canonical SMILES for (2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one is C[C@H]1CC2CC1[C@H]1CC(=O)C[C@@H]21.
What is the InChIKey of (2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one?
The InChIKey is YQHWNKORUVCEEK-ZGVHPMBJSA-N. The full InChI is InChI=1S/C11H16O/c1-6-2-7-3-9(6)11-5-8(12)4-10(7)11/h6-7,9-11H,2-5H2,1H3/t6-,7?,9?,10-,11+/m0/s1.
What are the key properties of (2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one?
(2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one has a molecular weight of 164.25 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R,8S)-8-methyltricyclo[5.2.1.02,6]decan-4-one is sourced from PubChem (CID 135037584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).