(5S)-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one

C12H18O5 — CID 134857092

IUPAC(5S)-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one
SMILESCOC1(C)OC[C@]2(CC=CC2=O)OC1(C)OC
InChIInChI=1S/C12H18O5/c1-10(14-3)11(2,15-4)17-12(8-16-10)7-5-6-9(12)13/h5-6H,7-8H2,1-4H3/t10?,11?,12-/m0/s1
InChIKeyUFMQCXALNJHCLY-MCIGGMRASA-N
MW242.27 g/mol
LogP1.03
Rot. Bonds2

About (5S)-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one

(5S)-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one (PubChem CID 134857092) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is (5S)-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one.

Molecular Properties

Compound Name(5S)-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one
PubChem CID134857092
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name(5S)-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one
SMILESCOC1(C)OC[C@]2(CC=CC2=O)OC1(C)OC
InChIInChI=1S/C12H18O5/c1-10(14-3)11(2,15-4)17-12(8-16-10)7-5-6-9(12)13/h5-6H,7-8H2,1-4H3/t10?,11?,12-/m0/s1
InChIKeyUFMQCXALNJHCLY-MCIGGMRASA-N
XLogP1.03
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one?
The IUPAC name of (5S)-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one (CID 134857092) is (5S)-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one.
What is the SMILES notation for (5S)-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one?
The canonical SMILES for (5S)-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one is COC1(C)OC[C@]2(CC=CC2=O)OC1(C)OC.
What is the InChIKey of (5S)-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one?
The InChIKey is UFMQCXALNJHCLY-MCIGGMRASA-N. The full InChI is InChI=1S/C12H18O5/c1-10(14-3)11(2,15-4)17-12(8-16-10)7-5-6-9(12)13/h5-6H,7-8H2,1-4H3/t10?,11?,12-/m0/s1.
What are the key properties of (5S)-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one?
(5S)-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one has a molecular weight of 242.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one is sourced from PubChem (CID 134857092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).