1-(1-ethoxycyclohexyl)-3-methylsulfonylpropan-1-ol

C12H24O4S — CID 116753769

IUPAC1-(1-ethoxycyclohexyl)-3-methylsulfonylpropan-1-ol
SMILESCCOC1(C(O)CCS(C)(=O)=O)CCCCC1
InChIInChI=1S/C12H24O4S/c1-3-16-12(8-5-4-6-9-12)11(13)7-10-17(2,14)15/h11,13H,3-10H2,1-2H3
InChIKeyFRQTXLQUZWCQTP-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.52
Rot. Bonds6

About 1-(1-ethoxycyclohexyl)-3-methylsulfonylpropan-1-ol

1-(1-ethoxycyclohexyl)-3-methylsulfonylpropan-1-ol (PubChem CID 116753769) has the molecular formula C12H24O4S and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-3-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-3-methylsulfonylpropan-1-ol
PubChem CID116753769
Molecular FormulaC12H24O4S
Molecular Weight264.39 g/mol
Exact Mass264.14
IUPAC Name1-(1-ethoxycyclohexyl)-3-methylsulfonylpropan-1-ol
SMILESCCOC1(C(O)CCS(C)(=O)=O)CCCCC1
InChIInChI=1S/C12H24O4S/c1-3-16-12(8-5-4-6-9-12)11(13)7-10-17(2,14)15/h11,13H,3-10H2,1-2H3
InChIKeyFRQTXLQUZWCQTP-UHFFFAOYSA-N
XLogP1.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-3-methylsulfonylpropan-1-ol?
The IUPAC name of 1-(1-ethoxycyclohexyl)-3-methylsulfonylpropan-1-ol (CID 116753769) is 1-(1-ethoxycyclohexyl)-3-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-3-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-3-methylsulfonylpropan-1-ol is CCOC1(C(O)CCS(C)(=O)=O)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-3-methylsulfonylpropan-1-ol?
The InChIKey is FRQTXLQUZWCQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4S/c1-3-16-12(8-5-4-6-9-12)11(13)7-10-17(2,14)15/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-3-methylsulfonylpropan-1-ol?
1-(1-ethoxycyclohexyl)-3-methylsulfonylpropan-1-ol has a molecular weight of 264.39 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-3-methylsulfonylpropan-1-ol is sourced from PubChem (CID 116753769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).