dicyclobutyl sulfate

C8H14O4S — CID 87280468

IUPACdicyclobutyl sulfate
SMILESO=S(=O)(OC1CCC1)OC1CCC1
InChIInChI=1S/C8H14O4S/c9-13(10,11-7-3-1-4-7)12-8-5-2-6-8/h7-8H,1-6H2
InChIKeyTXNYMXNACNPWQM-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.37
Rot. Bonds4

About dicyclobutyl sulfate

dicyclobutyl sulfate (PubChem CID 87280468) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is dicyclobutyl sulfate.

Molecular Properties

Compound Namedicyclobutyl sulfate
PubChem CID87280468
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Namedicyclobutyl sulfate
SMILESO=S(=O)(OC1CCC1)OC1CCC1
InChIInChI=1S/C8H14O4S/c9-13(10,11-7-3-1-4-7)12-8-5-2-6-8/h7-8H,1-6H2
InChIKeyTXNYMXNACNPWQM-UHFFFAOYSA-N
XLogP1.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dicyclobutyl sulfate?
The IUPAC name of dicyclobutyl sulfate (CID 87280468) is dicyclobutyl sulfate.
What is the SMILES notation for dicyclobutyl sulfate?
The canonical SMILES for dicyclobutyl sulfate is O=S(=O)(OC1CCC1)OC1CCC1.
What is the InChIKey of dicyclobutyl sulfate?
The InChIKey is TXNYMXNACNPWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c9-13(10,11-7-3-1-4-7)12-8-5-2-6-8/h7-8H,1-6H2.
What are the key properties of dicyclobutyl sulfate?
dicyclobutyl sulfate has a molecular weight of 206.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclobutyl sulfate is sourced from PubChem (CID 87280468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).