(2R,3R)-7-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene

C10H15ClO2 — CID 135050577

IUPAC(2R,3R)-7-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC[C@H]1OC2(C=C(Cl)CCC2)O[C@@H]1C
InChIInChI=1S/C10H15ClO2/c1-7-8(2)13-10(12-7)5-3-4-9(11)6-10/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyKAJFZAIVANPLLF-HTQZYQBOSA-N
MW202.68 g/mol
LogP2.81
Rot. Bonds

About (2R,3R)-7-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene

(2R,3R)-7-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 135050577) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is (2R,3R)-7-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name(2R,3R)-7-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID135050577
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Name(2R,3R)-7-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC[C@H]1OC2(C=C(Cl)CCC2)O[C@@H]1C
InChIInChI=1S/C10H15ClO2/c1-7-8(2)13-10(12-7)5-3-4-9(11)6-10/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyKAJFZAIVANPLLF-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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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-7-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of (2R,3R)-7-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene (CID 135050577) is (2R,3R)-7-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for (2R,3R)-7-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for (2R,3R)-7-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene is C[C@H]1OC2(C=C(Cl)CCC2)O[C@@H]1C.
What is the InChIKey of (2R,3R)-7-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is KAJFZAIVANPLLF-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-7-8(2)13-10(12-7)5-3-4-9(11)6-10/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-7-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
(2R,3R)-7-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)-7-chloro-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 135050577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).