6-methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one

C10H16O4 — CID 18341665

IUPAC6-methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
SMILESCOC1C(C)C(=O)C2OC(C)(C)OC21
InChIInChI=1S/C10H16O4/c1-5-6(11)8-9(7(5)12-4)14-10(2,3)13-8/h5,7-9H,1-4H3
InChIKeyTYVLFQQORQBPSE-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.74
Rot. Bonds1

About 6-methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one

6-methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one (PubChem CID 18341665) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 6-methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one.

Molecular Properties

Compound Name6-methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
PubChem CID18341665
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name6-methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
SMILESCOC1C(C)C(=O)C2OC(C)(C)OC21
InChIInChI=1S/C10H16O4/c1-5-6(11)8-9(7(5)12-4)14-10(2,3)13-8/h5,7-9H,1-4H3
InChIKeyTYVLFQQORQBPSE-UHFFFAOYSA-N
XLogP0.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one with MolForge

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Related Compounds

(5R,6R)-5-fluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 146169075
(3aR,6R,6aR)-6-(tert-Butoxymethyl)-2,2-dimethyldihydro-3aH-cyclopenta[d][1,3]dioxol-4(5H)-one
CID 15409249
Methyl [(3as,4rs,6as)-2,2-dimethyl-6-oxotetra-hydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]acetate
CID 129749676
(3aS,4R,6S,6aR)-4-methoxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-6-carbaldehyde
CID 134895150
Hmrrqimjbqffsk-drtbcbbwsa-
CID 10353717
6-(Tert-butyl-dimethyl-silanyloxymethyl)-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-4-one
CID 124708215
(3aR,6R,6aR)-6-(((tert-Butyldimethylsilyl)oxy)methyl)-2,2-dimethyldihydro-3aH-cyclopenta[d][1,3]dioxol-4(5H)-one
CID 10402568
(3aR,6R,6aR)-6-(Hydroxymethyl)-2,2-dimethyldihydro-3aH-cyclopenta[d][1,3]dioxol-4(5H)-one
CID 11084565
2,2,6-Trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 14860121
(3aR,6S,6aR)-6-methylspiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-one
CID 15748469
2,3,4-Trimethoxy-5-methylcyclopentan-1-one
CID 18341652
ethyl (3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4-carboxylate
CID 25194157

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The IUPAC name of 6-methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one (CID 18341665) is 6-methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one.
What is the SMILES notation for 6-methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The canonical SMILES for 6-methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one is COC1C(C)C(=O)C2OC(C)(C)OC21.
What is the InChIKey of 6-methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The InChIKey is TYVLFQQORQBPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-6(11)8-9(7(5)12-4)14-10(2,3)13-8/h5,7-9H,1-4H3.
What are the key properties of 6-methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
6-methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one has a molecular weight of 200.23 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2,5-trimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one is sourced from PubChem (CID 18341665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).