(5R,8R,9R)-8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-one

C10H14O5 — CID 46230254

IUPAC(5R,8R,9R)-8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-one
SMILESCC1(C)OC(=O)[C@@]2(C=C[C@@H](O)[C@H](O)C2)O1
InChIInChI=1S/C10H14O5/c1-9(2)14-8(13)10(15-9)4-3-6(11)7(12)5-10/h3-4,6-7,11-12H,5H2,1-2H3/t6-,7-,10+/m1/s1
InChIKeyWLPSLTGUXRKBPM-XSSZXYGBSA-N
MW214.22 g/mol
LogP-0.28
Rot. Bonds

About (5R,8R,9R)-8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-one

(5R,8R,9R)-8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-one (PubChem CID 46230254) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (5R,8R,9R)-8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-one.

Molecular Properties

Compound Name(5R,8R,9R)-8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-one
PubChem CID46230254
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(5R,8R,9R)-8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-one
SMILESCC1(C)OC(=O)[C@@]2(C=C[C@@H](O)[C@H](O)C2)O1
InChIInChI=1S/C10H14O5/c1-9(2)14-8(13)10(15-9)4-3-6(11)7(12)5-10/h3-4,6-7,11-12H,5H2,1-2H3/t6-,7-,10+/m1/s1
InChIKeyWLPSLTGUXRKBPM-XSSZXYGBSA-N
XLogP-0.28
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R,8R,9R)-8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Botryolides C
CID 44448107
(3'aR,5R,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-5,5'-4,7a-dihydro-3aH-1,3-benzodioxole]-4-one
CID 46230253
Botryolide C
CID 24853884
1,4-Dihydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one
CID 85907386
methyl (4S,5E,6S)-5-but-2-ynylidene-6-(2-hydroxyethyl)-2,2,4-trimethyl-1,3-dioxane-4-carboxylate
CID 168328257
(1S,3R,3'R,7R,10R)-3'-hydroxy-3-methylspiro[4,11-dioxabicyclo[8.1.0]undec-8-ene-7,5'-oxolane]-2',5-dione
CID 172013847
(1R,4R,5S)-4-ethoxy-1-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one
CID 57759037
(1R,4R,5S)-1-ethoxy-4-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one
CID 57759048
methyl (1R,4R,5R)-1-ethoxy-4,5-dihydroxycyclohex-2-ene-1-carboxylate
CID 57759055
(1R,4R,5R)-4-ethoxy-1-hydroxy-6-oxabicyclo[3.2.1]oct-2-en-7-one
CID 58942082
1-Methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 69852100
4-Hydroxybutanoic acid;2-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid
CID 70017056

Frequently Asked Questions

What is the IUPAC name of (5R,8R,9R)-8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-one?
The IUPAC name of (5R,8R,9R)-8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-one (CID 46230254) is (5R,8R,9R)-8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-one.
What is the SMILES notation for (5R,8R,9R)-8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-one?
The canonical SMILES for (5R,8R,9R)-8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-one is CC1(C)OC(=O)[C@@]2(C=C[C@@H](O)[C@H](O)C2)O1.
What is the InChIKey of (5R,8R,9R)-8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-one?
The InChIKey is WLPSLTGUXRKBPM-XSSZXYGBSA-N. The full InChI is InChI=1S/C10H14O5/c1-9(2)14-8(13)10(15-9)4-3-6(11)7(12)5-10/h3-4,6-7,11-12H,5H2,1-2H3/t6-,7-,10+/m1/s1.
What are the key properties of (5R,8R,9R)-8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-one?
(5R,8R,9R)-8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-one has a molecular weight of 214.22 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R,9R)-8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-one is sourced from PubChem (CID 46230254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).