ethyl (4-methylsulfonylcyclohexyl) carbonate

C10H18O5S — CID 142152109

IUPACethyl (4-methylsulfonylcyclohexyl) carbonate
SMILESCCOC(=O)OC1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C10H18O5S/c1-3-14-10(11)15-8-4-6-9(7-5-8)16(2,12)13/h8-9H,3-7H2,1-2H3
InChIKeyVRUVMFBGHIQRHA-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.52
Rot. Bonds3

About ethyl (4-methylsulfonylcyclohexyl) carbonate

ethyl (4-methylsulfonylcyclohexyl) carbonate (PubChem CID 142152109) has the molecular formula C10H18O5S and a molecular weight of 250.32 g/mol. Its IUPAC name is ethyl (4-methylsulfonylcyclohexyl) carbonate.

Molecular Properties

Compound Nameethyl (4-methylsulfonylcyclohexyl) carbonate
PubChem CID142152109
Molecular FormulaC10H18O5S
Molecular Weight250.32 g/mol
Exact Mass250.09
IUPAC Nameethyl (4-methylsulfonylcyclohexyl) carbonate
SMILESCCOC(=O)OC1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C10H18O5S/c1-3-14-10(11)15-8-4-6-9(7-5-8)16(2,12)13/h8-9H,3-7H2,1-2H3
InChIKeyVRUVMFBGHIQRHA-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 ethyl (4-methylsulfonylcyclohexyl) carbonate?
The IUPAC name of ethyl (4-methylsulfonylcyclohexyl) carbonate (CID 142152109) is ethyl (4-methylsulfonylcyclohexyl) carbonate.
What is the SMILES notation for ethyl (4-methylsulfonylcyclohexyl) carbonate?
The canonical SMILES for ethyl (4-methylsulfonylcyclohexyl) carbonate is CCOC(=O)OC1CCC(S(C)(=O)=O)CC1.
What is the InChIKey of ethyl (4-methylsulfonylcyclohexyl) carbonate?
The InChIKey is VRUVMFBGHIQRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5S/c1-3-14-10(11)15-8-4-6-9(7-5-8)16(2,12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl (4-methylsulfonylcyclohexyl) carbonate?
ethyl (4-methylsulfonylcyclohexyl) 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 ethyl (4-methylsulfonylcyclohexyl) carbonate is sourced from PubChem (CID 142152109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).