(6S,9S)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one

C10H16O2 — CID 71450817

IUPAC(6S,9S)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one
SMILESC[C@H]1CC[C@H](C)C12CCOC2=O
InChIInChI=1S/C10H16O2/c1-7-3-4-8(2)10(7)5-6-12-9(10)11/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyCQORSWAIFJDWPQ-YUMQZZPRSA-N
MW168.24 g/mol
LogP1.99
Rot. Bonds

About (6S,9S)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one

(6S,9S)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one (PubChem CID 71450817) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (6S,9S)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(6S,9S)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one
PubChem CID71450817
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(6S,9S)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one
SMILESC[C@H]1CC[C@H](C)C12CCOC2=O
InChIInChI=1S/C10H16O2/c1-7-3-4-8(2)10(7)5-6-12-9(10)11/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyCQORSWAIFJDWPQ-YUMQZZPRSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S,9S)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one?
The IUPAC name of (6S,9S)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one (CID 71450817) is (6S,9S)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one.
What is the SMILES notation for (6S,9S)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one?
The canonical SMILES for (6S,9S)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one is C[C@H]1CC[C@H](C)C12CCOC2=O.
What is the InChIKey of (6S,9S)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one?
The InChIKey is CQORSWAIFJDWPQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-3-4-8(2)10(7)5-6-12-9(10)11/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (6S,9S)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one?
(6S,9S)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,9S)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one is sourced from PubChem (CID 71450817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).