(2R,3R)-6-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene

C10H15ClO2 — CID 135050421

IUPAC(2R,3R)-6-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC[C@H]1OC2(CCCC=C2Cl)O[C@@H]1C
InChIInChI=1S/C10H15ClO2/c1-7-8(2)13-10(12-7)6-4-3-5-9(10)11/h5,7-8H,3-4,6H2,1-2H3/t7-,8-/m1/s1
InChIKeyOSKLXUKHRWGLAD-HTQZYQBOSA-N
MW202.68 g/mol
LogP2.81
Rot. Bonds

About (2R,3R)-6-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene

(2R,3R)-6-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 135050421) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is (2R,3R)-6-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name(2R,3R)-6-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID135050421
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Name(2R,3R)-6-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC[C@H]1OC2(CCCC=C2Cl)O[C@@H]1C
InChIInChI=1S/C10H15ClO2/c1-7-8(2)13-10(12-7)6-4-3-5-9(10)11/h5,7-8H,3-4,6H2,1-2H3/t7-,8-/m1/s1
InChIKeyOSKLXUKHRWGLAD-HTQZYQBOSA-N
XLogP2.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R,4aR,8aS)-5-chloro-2,3-dimethoxy-2,3-dimethyl-4a,7,8,8a-tetrahydro-1,4-benzodioxine
CID 11346060
6-Chloro-1,4-dioxaspiro[4.5]dec-6-ene
CID 85728275
7-Chloro-1,4-dioxaspiro[4.5]dec-6-ene
CID 85728283
(3aS,5aR,6aR,6bS)-4-chloro-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxole
CID 10943568
(3aS,5aS,6aS,6bS)-4-chloro-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxole
CID 10375596
(2R,3R)-7-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 135050577
(3aS,4S,7aS)-7-chloro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 139262746
(3aS,5aR,8aR,8bS)-4-chloro-2,2,7,7-tetramethyl-3a,5a,8a,8b-tetrahydro-[1,3]dioxolo[4,5-g][1,3]benzodioxole
CID 11777413
3-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 14566992
(3aS,7aS)-7-chloro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 45112989
1-Chloro-6-(ethoxymethoxy)cyclohexene
CID 102244251
5-Chloro-2,2,7-trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 130020745

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-6-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of (2R,3R)-6-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene (CID 135050421) is (2R,3R)-6-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for (2R,3R)-6-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for (2R,3R)-6-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene is C[C@H]1OC2(CCCC=C2Cl)O[C@@H]1C.
What is the InChIKey of (2R,3R)-6-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is OSKLXUKHRWGLAD-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-7-8(2)13-10(12-7)6-4-3-5-9(10)11/h5,7-8H,3-4,6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-6-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
(2R,3R)-6-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 202.68 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-6-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 135050421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).