(5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one

C13H18O2 — CID 11745805

IUPAC(5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one
SMILESCC1=CC[C@@]2(O1)C(C)=CC(=O)CC2(C)C
InChIInChI=1S/C13H18O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h5,7H,6,8H2,1-4H3/t13-/m1/s1
InChIKeyPYBOFDINXIGETR-CYBMUJFWSA-N
MW206.28 g/mol
LogP2.99
Rot. Bonds

About (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one

(5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one (PubChem CID 11745805) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one.

Molecular Properties

Compound Name(5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one
PubChem CID11745805
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one
SMILESCC1=CC[C@@]2(O1)C(C)=CC(=O)CC2(C)C
InChIInChI=1S/C13H18O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h5,7H,6,8H2,1-4H3/t13-/m1/s1
InChIKeyPYBOFDINXIGETR-CYBMUJFWSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one?
The IUPAC name of (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one (CID 11745805) is (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one.
What is the SMILES notation for (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one?
The canonical SMILES for (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one is CC1=CC[C@@]2(O1)C(C)=CC(=O)CC2(C)C.
What is the InChIKey of (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one?
The InChIKey is PYBOFDINXIGETR-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h5,7H,6,8H2,1-4H3/t13-/m1/s1.
What are the key properties of (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one?
(5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one has a molecular weight of 206.28 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one is sourced from PubChem (CID 11745805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).