(4-ethylsulfonylcyclohexyl) methyl carbonate

C10H18O5S — CID 142152111

IUPAC(4-ethylsulfonylcyclohexyl) methyl carbonate
SMILESCCS(=O)(=O)C1CCC(OC(=O)OC)CC1
InChIInChI=1S/C10H18O5S/c1-3-16(12,13)9-6-4-8(5-7-9)15-10(11)14-2/h8-9H,3-7H2,1-2H3
InChIKeySHQWKZRRSWDDHX-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.52
Rot. Bonds3

About (4-ethylsulfonylcyclohexyl) methyl carbonate

(4-ethylsulfonylcyclohexyl) methyl carbonate (PubChem CID 142152111) has the molecular formula C10H18O5S and a molecular weight of 250.32 g/mol. Its IUPAC name is (4-ethylsulfonylcyclohexyl) methyl carbonate.

Molecular Properties

Compound Name(4-ethylsulfonylcyclohexyl) methyl carbonate
PubChem CID142152111
Molecular FormulaC10H18O5S
Molecular Weight250.32 g/mol
Exact Mass250.09
IUPAC Name(4-ethylsulfonylcyclohexyl) methyl carbonate
SMILESCCS(=O)(=O)C1CCC(OC(=O)OC)CC1
InChIInChI=1S/C10H18O5S/c1-3-16(12,13)9-6-4-8(5-7-9)15-10(11)14-2/h8-9H,3-7H2,1-2H3
InChIKeySHQWKZRRSWDDHX-UHFFFAOYSA-N
XLogP1.52
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylcyclohexyl) methyl carbonate?
The IUPAC name of (4-ethylsulfonylcyclohexyl) methyl carbonate (CID 142152111) is (4-ethylsulfonylcyclohexyl) methyl carbonate.
What is the SMILES notation for (4-ethylsulfonylcyclohexyl) methyl carbonate?
The canonical SMILES for (4-ethylsulfonylcyclohexyl) methyl carbonate is CCS(=O)(=O)C1CCC(OC(=O)OC)CC1.
What is the InChIKey of (4-ethylsulfonylcyclohexyl) methyl carbonate?
The InChIKey is SHQWKZRRSWDDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5S/c1-3-16(12,13)9-6-4-8(5-7-9)15-10(11)14-2/h8-9H,3-7H2,1-2H3.
What are the key properties of (4-ethylsulfonylcyclohexyl) methyl carbonate?
(4-ethylsulfonylcyclohexyl) methyl carbonate has a molecular weight of 250.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylcyclohexyl) methyl carbonate is sourced from PubChem (CID 142152111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).