(4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol

C15H28O5S — CID 116754107

IUPAC(4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCCOC1(C(O)C2CCCC(S(C)(=O)=O)C2)CCOCC1
InChIInChI=1S/C15H28O5S/c1-3-20-15(7-9-19-10-8-15)14(16)12-5-4-6-13(11-12)21(2,17)18/h12-14,16H,3-11H2,1-2H3
InChIKeyJIQWTPJQEXLSBO-UHFFFAOYSA-N
MW320.45 g/mol
LogP1.54
Rot. Bonds5

About (4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol

(4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol (PubChem CID 116754107) has the molecular formula C15H28O5S and a molecular weight of 320.45 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol
PubChem CID116754107
Molecular FormulaC15H28O5S
Molecular Weight320.45 g/mol
Exact Mass320.17
IUPAC Name(4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCCOC1(C(O)C2CCCC(S(C)(=O)=O)C2)CCOCC1
InChIInChI=1S/C15H28O5S/c1-3-20-15(7-9-19-10-8-15)14(16)12-5-4-6-13(11-12)21(2,17)18/h12-14,16H,3-11H2,1-2H3
InChIKeyJIQWTPJQEXLSBO-UHFFFAOYSA-N
XLogP1.54
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylsulfonylcyclohexyl)pentane-1,2-diol
CID 103455003
2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol
CID 116712704
(1-ethoxycyclopentyl)-(oxan-3-yl)methanol
CID 107136224
1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765744
(4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine
CID 116765339
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)butan-1-ol
CID 115822140
(2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol
CID 107192685
cyclooctyl-(3-methylsulfonylcyclohexyl)methanol
CID 80604080
dimethyl 2-(3-methylsulfonylcyclohexyl)propanedioate
CID 103972496
(4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine
CID 116765468
N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766050

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol?
The IUPAC name of (4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol (CID 116754107) is (4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol.
What is the SMILES notation for (4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol?
The canonical SMILES for (4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol is CCOC1(C(O)C2CCCC(S(C)(=O)=O)C2)CCOCC1.
What is the InChIKey of (4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol?
The InChIKey is JIQWTPJQEXLSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O5S/c1-3-20-15(7-9-19-10-8-15)14(16)12-5-4-6-13(11-12)21(2,17)18/h12-14,16H,3-11H2,1-2H3.
What are the key properties of (4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol?
(4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol has a molecular weight of 320.45 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol is sourced from PubChem (CID 116754107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).