(7R,9S)-7,9-dimethyl-1,8-dioxaspiro[4.5]decan-4-one

C10H16O3 — CID 165459407

IUPAC(7R,9S)-7,9-dimethyl-1,8-dioxaspiro[4.5]decan-4-one
SMILESC[C@@H]1CC2(C[C@H](C)O1)OCCC2=O
InChIInChI=1S/C10H16O3/c1-7-5-10(6-8(2)13-7)9(11)3-4-12-10/h7-8H,3-6H2,1-2H3/t7-,8+,10?
InChIKeyFPOABCAXLJHRMD-JWHQNHQBSA-N
MW184.23 g/mol
LogP1.30
Rot. Bonds

About (7R,9S)-7,9-dimethyl-1,8-dioxaspiro[4.5]decan-4-one

(7R,9S)-7,9-dimethyl-1,8-dioxaspiro[4.5]decan-4-one (PubChem CID 165459407) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (7R,9S)-7,9-dimethyl-1,8-dioxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(7R,9S)-7,9-dimethyl-1,8-dioxaspiro[4.5]decan-4-one
PubChem CID165459407
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(7R,9S)-7,9-dimethyl-1,8-dioxaspiro[4.5]decan-4-one
SMILESC[C@@H]1CC2(C[C@H](C)O1)OCCC2=O
InChIInChI=1S/C10H16O3/c1-7-5-10(6-8(2)13-7)9(11)3-4-12-10/h7-8H,3-6H2,1-2H3/t7-,8+,10?
InChIKeyFPOABCAXLJHRMD-JWHQNHQBSA-N
XLogP1.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R,9S)-7,9-dimethyl-1,8-dioxaspiro[4.5]decan-4-one?
The IUPAC name of (7R,9S)-7,9-dimethyl-1,8-dioxaspiro[4.5]decan-4-one (CID 165459407) is (7R,9S)-7,9-dimethyl-1,8-dioxaspiro[4.5]decan-4-one.
What is the SMILES notation for (7R,9S)-7,9-dimethyl-1,8-dioxaspiro[4.5]decan-4-one?
The canonical SMILES for (7R,9S)-7,9-dimethyl-1,8-dioxaspiro[4.5]decan-4-one is C[C@@H]1CC2(C[C@H](C)O1)OCCC2=O.
What is the InChIKey of (7R,9S)-7,9-dimethyl-1,8-dioxaspiro[4.5]decan-4-one?
The InChIKey is FPOABCAXLJHRMD-JWHQNHQBSA-N. The full InChI is InChI=1S/C10H16O3/c1-7-5-10(6-8(2)13-7)9(11)3-4-12-10/h7-8H,3-6H2,1-2H3/t7-,8+,10?.
What are the key properties of (7R,9S)-7,9-dimethyl-1,8-dioxaspiro[4.5]decan-4-one?
(7R,9S)-7,9-dimethyl-1,8-dioxaspiro[4.5]decan-4-one has a molecular weight of 184.23 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9S)-7,9-dimethyl-1,8-dioxaspiro[4.5]decan-4-one is sourced from PubChem (CID 165459407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).