(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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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).