(5R)-3,7,7-trimethyl-6,8-dioxaspiro[4.5]dec-2-en-10-one

C11H16O3 — CID 121223722

IUPAC(5R)-3,7,7-trimethyl-6,8-dioxaspiro[4.5]dec-2-en-10-one
SMILESCC1=CC[C@]2(C1)OC(C)(C)OCC2=O
InChIInChI=1S/C11H16O3/c1-8-4-5-11(6-8)9(12)7-13-10(2,3)14-11/h4H,5-7H2,1-3H3/t11-/m1/s1
InChIKeyUCKANKUEIFHLIR-LLVKDONJSA-N
MW196.25 g/mol
LogP1.82
Rot. Bonds

About (5R)-3,7,7-trimethyl-6,8-dioxaspiro[4.5]dec-2-en-10-one

(5R)-3,7,7-trimethyl-6,8-dioxaspiro[4.5]dec-2-en-10-one (PubChem CID 121223722) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (5R)-3,7,7-trimethyl-6,8-dioxaspiro[4.5]dec-2-en-10-one.

Molecular Properties

Compound Name(5R)-3,7,7-trimethyl-6,8-dioxaspiro[4.5]dec-2-en-10-one
PubChem CID121223722
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(5R)-3,7,7-trimethyl-6,8-dioxaspiro[4.5]dec-2-en-10-one
SMILESCC1=CC[C@]2(C1)OC(C)(C)OCC2=O
InChIInChI=1S/C11H16O3/c1-8-4-5-11(6-8)9(12)7-13-10(2,3)14-11/h4H,5-7H2,1-3H3/t11-/m1/s1
InChIKeyUCKANKUEIFHLIR-LLVKDONJSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,7,7-trimethyl-6,8-dioxaspiro[4.5]dec-2-en-10-one?
The IUPAC name of (5R)-3,7,7-trimethyl-6,8-dioxaspiro[4.5]dec-2-en-10-one (CID 121223722) is (5R)-3,7,7-trimethyl-6,8-dioxaspiro[4.5]dec-2-en-10-one.
What is the SMILES notation for (5R)-3,7,7-trimethyl-6,8-dioxaspiro[4.5]dec-2-en-10-one?
The canonical SMILES for (5R)-3,7,7-trimethyl-6,8-dioxaspiro[4.5]dec-2-en-10-one is CC1=CC[C@]2(C1)OC(C)(C)OCC2=O.
What is the InChIKey of (5R)-3,7,7-trimethyl-6,8-dioxaspiro[4.5]dec-2-en-10-one?
The InChIKey is UCKANKUEIFHLIR-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-4-5-11(6-8)9(12)7-13-10(2,3)14-11/h4H,5-7H2,1-3H3/t11-/m1/s1.
What are the key properties of (5R)-3,7,7-trimethyl-6,8-dioxaspiro[4.5]dec-2-en-10-one?
(5R)-3,7,7-trimethyl-6,8-dioxaspiro[4.5]dec-2-en-10-one has a molecular weight of 196.25 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,7,7-trimethyl-6,8-dioxaspiro[4.5]dec-2-en-10-one is sourced from PubChem (CID 121223722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).