(1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one

C10H15ClO — CID 134986855

IUPAC(1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one
SMILESO=C1[C@H]2CCCCCC[C@H]2[C@H]1Cl
InChIInChI=1S/C10H15ClO/c11-9-7-5-3-1-2-4-6-8(7)10(9)12/h7-9H,1-6H2/t7-,8+,9-/m1/s1
InChIKeyWQFMAARGHDDGIB-HRDYMLBCSA-N
MW186.68 g/mol
LogP2.76
Rot. Bonds

About (1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one

(1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one (PubChem CID 134986855) has the molecular formula C10H15ClO and a molecular weight of 186.68 g/mol. Its IUPAC name is (1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one.

Molecular Properties

Compound Name(1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one
PubChem CID134986855
Molecular FormulaC10H15ClO
Molecular Weight186.68 g/mol
Exact Mass186.08
IUPAC Name(1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one
SMILESO=C1[C@H]2CCCCCC[C@H]2[C@H]1Cl
InChIInChI=1S/C10H15ClO/c11-9-7-5-3-1-2-4-6-8(7)10(9)12/h7-9H,1-6H2/t7-,8+,9-/m1/s1
InChIKeyWQFMAARGHDDGIB-HRDYMLBCSA-N
XLogP2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.68
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

10-chlorobicyclo[6.2.0]decan-9-one
CID 566640
2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one
CID 154595410
9-methylbicyclo[5.2.0]nonan-8-one
CID 12721699
trans-(2S,12S)-2,12-dichlorocyclododecan-1-one
CID 98133852
(4R,4aS,8aS)-4-chloro-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
CID 101163934
(3R,3aS,9aR)-3-chloro-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one
CID 13466804
trans-(2S,6S)-2,6-dicyclohexylcyclohexan-1-one
CID 36691423
9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride
CID 122403035
tricyclo[5.3.1.12,6]dodecane-11,12-dione
CID 605937
(1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione
CID 102059008
4,6-dichloro-3-azabicyclo[5.5.0]dodec-4-en-2-one
CID 139514951
1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one
CID 91232571

Frequently Asked Questions

What is the IUPAC name of (1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one?
The IUPAC name of (1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one (CID 134986855) is (1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one.
What is the SMILES notation for (1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one?
The canonical SMILES for (1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one is O=C1[C@H]2CCCCCC[C@H]2[C@H]1Cl.
What is the InChIKey of (1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one?
The InChIKey is WQFMAARGHDDGIB-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H15ClO/c11-9-7-5-3-1-2-4-6-8(7)10(9)12/h7-9H,1-6H2/t7-,8+,9-/m1/s1.
What are the key properties of (1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one?
(1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one has a molecular weight of 186.68 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one is sourced from PubChem (CID 134986855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).