(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

C10H12O3 — CID 10856071

IUPAC(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESC[C@H]1OC2(C=CC(=O)C=C2)O[C@@H]1C
InChIInChI=1S/C10H12O3/c1-7-8(2)13-10(12-7)5-3-9(11)4-6-10/h3-8H,1-2H3/t7-,8-/m1/s1
InChIKeyPKEIDHDAQJKTAS-HTQZYQBOSA-N
MW180.20 g/mol
LogP1.20
Rot. Bonds

About (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 10856071) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID10856071
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESC[C@H]1OC2(C=CC(=O)C=C2)O[C@@H]1C
InChIInChI=1S/C10H12O3/c1-7-8(2)13-10(12-7)5-3-9(11)4-6-10/h3-8H,1-2H3/t7-,8-/m1/s1
InChIKeyPKEIDHDAQJKTAS-HTQZYQBOSA-N
XLogP1.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (CID 10856071) is (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is C[C@H]1OC2(C=CC(=O)C=C2)O[C@@H]1C.
What is the InChIKey of (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is PKEIDHDAQJKTAS-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-8(2)13-10(12-7)5-3-9(11)4-6-10/h3-8H,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 180.20 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 10856071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).