(5S)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonan-1-one

C11H16O2 — CID 10866939

IUPAC(5S)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonan-1-one
SMILESC=C1CC[C@]2(CCOC2=O)C1(C)C
InChIInChI=1S/C11H16O2/c1-8-4-5-11(10(8,2)3)6-7-13-9(11)12/h1,4-7H2,2-3H3/t11-/m1/s1
InChIKeyJHEBZGIZTAPLSF-LLVKDONJSA-N
MW180.25 g/mol
LogP2.30
Rot. Bonds

About (5S)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonan-1-one

(5S)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonan-1-one (PubChem CID 10866939) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (5S)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonan-1-one
PubChem CID10866939
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(5S)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonan-1-one
SMILESC=C1CC[C@]2(CCOC2=O)C1(C)C
InChIInChI=1S/C11H16O2/c1-8-4-5-11(10(8,2)3)6-7-13-9(11)12/h1,4-7H2,2-3H3/t11-/m1/s1
InChIKeyJHEBZGIZTAPLSF-LLVKDONJSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 15939456
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3-ethyl-3-methyloxolan-2-one;3-methylideneoxolan-2-one
CID 158117388
(3R)-3-methyl-2-oxooxolane-3-carbaldehyde
CID 95003018
4-amino-3,3-dimethyloxan-2-one
CID 59657923
3-(aminomethyl)-3-methyloxolan-2-one
CID 90431319
3,3,4,4-tetramethyl-oxacyclopentadecan-2-one
CID 150459671
3,3-dimethyl-oxacyclopentadecan-2-one
CID 71147227
7,7-dimethyl-3-methylidene-1,5-dioxonan-2-one
CID 174496680
3-methyl-3-[1-(3-methylbuta-1,3-dien-2-yloxy)ethyl]oxolan-2-one
CID 165162707
(3R)-3-hydroxy-3-methyloxan-2-one
CID 122221331
2,2-dimethylspiro[2.4]heptan-1-one
CID 130031044

Frequently Asked Questions

What is the IUPAC name of (5S)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonan-1-one?
The IUPAC name of (5S)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonan-1-one (CID 10866939) is (5S)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonan-1-one is C=C1CC[C@]2(CCOC2=O)C1(C)C.
What is the InChIKey of (5S)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonan-1-one?
The InChIKey is JHEBZGIZTAPLSF-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-4-5-11(10(8,2)3)6-7-13-9(11)12/h1,4-7H2,2-3H3/t11-/m1/s1.
What are the key properties of (5S)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonan-1-one?
(5S)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonan-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonan-1-one is sourced from PubChem (CID 10866939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).