(1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one

C10H16O — CID 130754418

IUPAC(1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one
SMILESCC1(C)[C@H]2C[C@]1(C)CCC2=O
InChIInChI=1S/C10H16O/c1-9(2)7-6-10(9,3)5-4-8(7)11/h7H,4-6H2,1-3H3/t7-,10-/m0/s1
InChIKeyYFFIJOGJVCTWNB-XVKPBYJWSA-N
MW152.24 g/mol
LogP2.40
Rot. Bonds

About (1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one

(1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one (PubChem CID 130754418) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one.

Molecular Properties

Compound Name(1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one
PubChem CID130754418
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one
SMILESCC1(C)[C@H]2C[C@]1(C)CCC2=O
InChIInChI=1S/C10H16O/c1-9(2)7-6-10(9,3)5-4-8(7)11/h7H,4-6H2,1-3H3/t7-,10-/m0/s1
InChIKeyYFFIJOGJVCTWNB-XVKPBYJWSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 14759938
2,3,3,4,4-pentamethylcyclohexan-1-one
CID 130436364
5-fluorobicyclo[3.1.0]hexan-2-one
CID 143048731
2,3,3-trimethylcyclopentan-1-one
CID 12842713
3a,4-dimethyl-2,3,4,5,6,6a-hexahydropentalen-1-one
CID 130038182
(1S,6S,7S)-7-isocyanato-5,5,7-trimethylbicyclo[4.2.0]octan-2-one
CID 101434688
(1R,4aR,7R,8aR)-7,8a-dihydroxy-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
CID 164781652
(1R,3S,5S,7R)-7,10,10-trimethyl-4-oxatricyclo[5.2.1.03,5]decan-2-one
CID 10375381
(1S,5S)-5-methyl-6-oxabicyclo[3.1.0]hexan-2-one
CID 12628084
(3Z)-3-ethylidene-1,5,5-trimethylbicyclo[2.1.1]hexane
CID 173027480
(1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione
CID 130906162
(4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one
CID 135044248

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one?
The IUPAC name of (1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one (CID 130754418) is (1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one.
What is the SMILES notation for (1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one?
The canonical SMILES for (1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one is CC1(C)[C@H]2C[C@]1(C)CCC2=O.
What is the InChIKey of (1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one?
The InChIKey is YFFIJOGJVCTWNB-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H16O/c1-9(2)7-6-10(9,3)5-4-8(7)11/h7H,4-6H2,1-3H3/t7-,10-/m0/s1.
What are the key properties of (1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one?
(1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one has a molecular weight of 152.24 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one is sourced from PubChem (CID 130754418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).