furan-2-ylmethyl propan-2-yl sulfate

C8H12O5S — CID 175133306

IUPACfuran-2-ylmethyl propan-2-yl sulfate
SMILESCC(C)OS(=O)(=O)OCc1ccco1
InChIInChI=1S/C8H12O5S/c1-7(2)13-14(9,10)12-6-8-4-3-5-11-8/h3-5,7H,6H2,1-2H3
InChIKeyRQRDBTXJRGJCQL-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.47
Rot. Bonds5

About furan-2-ylmethyl propan-2-yl sulfate

furan-2-ylmethyl propan-2-yl sulfate (PubChem CID 175133306) has the molecular formula C8H12O5S and a molecular weight of 220.25 g/mol. Its IUPAC name is furan-2-ylmethyl propan-2-yl sulfate.

Molecular Properties

Compound Namefuran-2-ylmethyl propan-2-yl sulfate
PubChem CID175133306
Molecular FormulaC8H12O5S
Molecular Weight220.25 g/mol
Exact Mass220.04
IUPAC Namefuran-2-ylmethyl propan-2-yl sulfate
SMILESCC(C)OS(=O)(=O)OCc1ccco1
InChIInChI=1S/C8H12O5S/c1-7(2)13-14(9,10)12-6-8-4-3-5-11-8/h3-5,7H,6H2,1-2H3
InChIKeyRQRDBTXJRGJCQL-UHFFFAOYSA-N
XLogP1.47
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-ylmethoxy)ethanol
CID 20517704
2-(butan-2-yloxymethyl)furan
CID 118563774
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556
ethane;2-(methoxymethyl)furan
CID 143640700
2-(ethylperoxymethyl)furan
CID 175094388
triethyl(furan-2-ylmethoxy)silane
CID 11435807
(1R)-1-(furan-2-ylmethoxy)propane-1,2-diol
CID 69117104
furan-2-ylmethoxysilane
CID 130768813
[3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate
CID 129254295
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
2-[[chloro(methoxy)phosphoryl]oxymethyl]furan
CID 147801823
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl propan-2-yl sulfate?
The IUPAC name of furan-2-ylmethyl propan-2-yl sulfate (CID 175133306) is furan-2-ylmethyl propan-2-yl sulfate.
What is the SMILES notation for furan-2-ylmethyl propan-2-yl sulfate?
The canonical SMILES for furan-2-ylmethyl propan-2-yl sulfate is CC(C)OS(=O)(=O)OCc1ccco1.
What is the InChIKey of furan-2-ylmethyl propan-2-yl sulfate?
The InChIKey is RQRDBTXJRGJCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5S/c1-7(2)13-14(9,10)12-6-8-4-3-5-11-8/h3-5,7H,6H2,1-2H3.
What are the key properties of furan-2-ylmethyl propan-2-yl sulfate?
furan-2-ylmethyl propan-2-yl sulfate has a molecular weight of 220.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl propan-2-yl sulfate is sourced from PubChem (CID 175133306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).