(1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one

C10H16O — CID 51357758

IUPAC(1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one
SMILESCC1(C)C(=O)[C@H]2CCCC[C@H]21
InChIInChI=1S/C10H16O/c1-10(2)8-6-4-3-5-7(8)9(10)11/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyUCKQUWDHMIIOJY-JGVFFNPUSA-N
MW152.24 g/mol
LogP2.40
Rot. Bonds

About (1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one

(1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one (PubChem CID 51357758) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one.

Molecular Properties

Compound Name(1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one
PubChem CID51357758
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one
SMILESCC1(C)C(=O)[C@H]2CCCC[C@H]21
InChIInChI=1S/C10H16O/c1-10(2)8-6-4-3-5-7(8)9(10)11/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyUCKQUWDHMIIOJY-JGVFFNPUSA-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

(1'S,5S,6'R)-2,2-dimethylspiro[1,3-dioxolane-5,8'-bicyclo[4.2.0]octane]-4,7'-dione
CID 134919519
(1S,10R)-12,12-dichlorobicyclo[8.2.0]dodecan-11-one
CID 131865785
3-hydroxy-3-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one
CID 123222610
(3aR,7aS)-4,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-5-one
CID 130765269
7,7-diethylbicyclo[3.2.0]heptan-6-one
CID 81422269
3,3,4,4-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one
CID 11790444
(1S,6S)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-one
CID 92859662
3,3-dimethyltricyclo[4.4.0.01,5]decan-4-one
CID 130029675
10,10-dimethylbicyclo[7.2.0]undecan-2-one
CID 91392358
7,9,9-trimethyl-1,2,3,4,4a,9a-hexahydrofluorene
CID 58037136
(1S,5S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-one
CID 95240977
spiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,7'-bicyclo[4.1.0]hept-1(6)-ene]-1-one
CID 101088876

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one?
The IUPAC name of (1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one (CID 51357758) is (1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one.
What is the SMILES notation for (1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one?
The canonical SMILES for (1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one is CC1(C)C(=O)[C@H]2CCCC[C@H]21.
What is the InChIKey of (1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one?
The InChIKey is UCKQUWDHMIIOJY-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H16O/c1-10(2)8-6-4-3-5-7(8)9(10)11/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one?
(1R,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-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,6S)-8,8-dimethylbicyclo[4.2.0]octan-7-one is sourced from PubChem (CID 51357758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).