carbonic acid;dicyclopenta-1,3-dien-1-yl sulfate

C11H12O7S — CID 175514137

IUPACcarbonic acid;dicyclopenta-1,3-dien-1-yl sulfate
SMILESO=C(O)O.O=S(=O)(OC1=CC=CC1)OC1=CC=CC1
InChIInChI=1S/C10H10O4S.CH2O3/c11-15(12,13-9-5-1-2-6-9)14-10-7-3-4-8-10;2-1(3)4/h1-5,7H,6,8H2;(H2,2,3,4)
InChIKeyOIJXBLYABJXCGJ-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.17
Rot. Bonds4

About carbonic acid;dicyclopenta-1,3-dien-1-yl sulfate

carbonic acid;dicyclopenta-1,3-dien-1-yl sulfate (PubChem CID 175514137) has the molecular formula C11H12O7S and a molecular weight of 288.28 g/mol. Its IUPAC name is carbonic acid;dicyclopenta-1,3-dien-1-yl sulfate.

Molecular Properties

Compound Namecarbonic acid;dicyclopenta-1,3-dien-1-yl sulfate
PubChem CID175514137
Molecular FormulaC11H12O7S
Molecular Weight288.28 g/mol
Exact Mass288.03
IUPAC Namecarbonic acid;dicyclopenta-1,3-dien-1-yl sulfate
SMILESO=C(O)O.O=S(=O)(OC1=CC=CC1)OC1=CC=CC1
InChIInChI=1S/C10H10O4S.CH2O3/c11-15(12,13-9-5-1-2-6-9)14-10-7-3-4-8-10;2-1(3)4/h1-5,7H,6,8H2;(H2,2,3,4)
InChIKeyOIJXBLYABJXCGJ-UHFFFAOYSA-N
XLogP2.17
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;dicyclopenta-1,3-dien-1-yl sulfate?
The IUPAC name of carbonic acid;dicyclopenta-1,3-dien-1-yl sulfate (CID 175514137) is carbonic acid;dicyclopenta-1,3-dien-1-yl sulfate.
What is the SMILES notation for carbonic acid;dicyclopenta-1,3-dien-1-yl sulfate?
The canonical SMILES for carbonic acid;dicyclopenta-1,3-dien-1-yl sulfate is O=C(O)O.O=S(=O)(OC1=CC=CC1)OC1=CC=CC1.
What is the InChIKey of carbonic acid;dicyclopenta-1,3-dien-1-yl sulfate?
The InChIKey is OIJXBLYABJXCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4S.CH2O3/c11-15(12,13-9-5-1-2-6-9)14-10-7-3-4-8-10;2-1(3)4/h1-5,7H,6,8H2;(H2,2,3,4).
What are the key properties of carbonic acid;dicyclopenta-1,3-dien-1-yl sulfate?
carbonic acid;dicyclopenta-1,3-dien-1-yl sulfate has a molecular weight of 288.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;dicyclopenta-1,3-dien-1-yl sulfate is sourced from PubChem (CID 175514137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).