(2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate

C10H16O7S — CID 130143110

IUPAC(2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate
SMILESCC1(C)OC2C(COS(C)(=O)=O)OC(=O)C2(C)O1
InChIInChI=1S/C10H16O7S/c1-9(2)16-7-6(5-14-18(4,12)13)15-8(11)10(7,3)17-9/h6-7H,5H2,1-4H3
InChIKeyJIWYXEOJWFRCAJ-UHFFFAOYSA-N
MW280.30 g/mol
LogP-0.20
Rot. Bonds3

About (2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate

(2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate (PubChem CID 130143110) has the molecular formula C10H16O7S and a molecular weight of 280.30 g/mol. Its IUPAC name is (2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate.

Molecular Properties

Compound Name(2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate
PubChem CID130143110
Molecular FormulaC10H16O7S
Molecular Weight280.30 g/mol
Exact Mass280.06
IUPAC Name(2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate
SMILESCC1(C)OC2C(COS(C)(=O)=O)OC(=O)C2(C)O1
InChIInChI=1S/C10H16O7S/c1-9(2)16-7-6(5-14-18(4,12)13)15-8(11)10(7,3)17-9/h6-7H,5H2,1-4H3
InChIKeyJIWYXEOJWFRCAJ-UHFFFAOYSA-N
XLogP-0.20
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate with MolForge

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Related Compounds

(4S,5R)-ethyl 5-((R)-2,2-diMethyl-1,3-dioxolan-4-yl)-4-Methyl-1,3,2-dioxathiolane-4-carboxylate 2,2-dioxide
CID 59227127
2-[(2,2,3a-Trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methoxy]-1,1-difluoro-2-oxoethanesulfonate
CID 140639454
[(3aR,6R,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methyl methanesulfonate
CID 11230891
methyl (3aR,5S,6R,6aR)-6-methoxy-2,2-dimethyl-5-(trifluoromethylsulfonyloxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carboxylate
CID 51357750
[(3aR,6R,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate
CID 100930867
[(3aS,6R,6aS)-2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate
CID 102150675
[(3aS,6R,6aS)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methyl methanesulfonate
CID 10967435
(2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate
CID 14867219
[(3aR,6R,6aR)-4-oxospiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]methyl methanesulfonate
CID 15748487
[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methyl methanesulfonate
CID 16037624
ethyl (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate
CID 58655328
(4S,5R)-ethyl 5-((R)-2,2-diMethyl-1,3-dioxolan-4-yl)-4-Methyl-1,3,2-dioxathiolane-4-carboxylate 2-oxide
CID 59227131

Frequently Asked Questions

What is the IUPAC name of (2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate?
The IUPAC name of (2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate (CID 130143110) is (2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate.
What is the SMILES notation for (2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate?
The canonical SMILES for (2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate is CC1(C)OC2C(COS(C)(=O)=O)OC(=O)C2(C)O1.
What is the InChIKey of (2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate?
The InChIKey is JIWYXEOJWFRCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O7S/c1-9(2)16-7-6(5-14-18(4,12)13)15-8(11)10(7,3)17-9/h6-7H,5H2,1-4H3.
What are the key properties of (2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate?
(2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate has a molecular weight of 280.30 g/mol, XLogP of -0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3a-trimethyl-4-oxo-6,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl)methyl methanesulfonate is sourced from PubChem (CID 130143110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).