2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol

C14H26O4S — CID 116712704

IUPAC2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol
SMILESCCOC(C1CC1)C(O)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C14H26O4S/c1-3-18-14(10-7-8-10)13(15)11-5-4-6-12(9-11)19(2,16)17/h10-15H,3-9H2,1-2H3
InChIKeyHGKJPYNVOCNRGO-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.77
Rot. Bonds6

About 2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol

2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol (PubChem CID 116712704) has the molecular formula C14H26O4S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol
PubChem CID116712704
Molecular FormulaC14H26O4S
Molecular Weight290.43 g/mol
Exact Mass290.16
IUPAC Name2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol
SMILESCCOC(C1CC1)C(O)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C14H26O4S/c1-3-18-14(10-7-8-10)13(15)11-5-4-6-12(9-11)19(2,16)17/h10-15H,3-9H2,1-2H3
InChIKeyHGKJPYNVOCNRGO-UHFFFAOYSA-N
XLogP1.77
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103216985
1-(3-Methylsulfonylcyclohexyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473949
3-[(2-Methoxy-3-(3,7,11,15-tetramethylhexadecyloxy)propyl)sulfonyl]propanol
CID 20034835
2-Methoxy-3-(12-cyclohexyldodecyloxy)propyl 3-hydroxypropyl sulfone
CID 53655331
1-(3-Methylsulfonylpropoxymethyl)-2-propan-2-ylcyclohexan-1-ol
CID 59292387
1-[2-[1,1-Bis(methylsulfonyl)ethyl]cyclohexyl]oxybutan-2-ol
CID 87662508
3-Methoxy-1-(3-methylsulfonylcyclohexyl)propan-1-ol
CID 80060554
(3-Methylsulfonylcyclohexyl)-(1,4-oxathian-2-yl)methanol
CID 80060565
1-Methoxy-2-(3-methylsulfonylcyclohexyl)propan-2-ol
CID 80060681
2-Methoxy-1-(3-methylsulfonylcyclohexyl)ethanol
CID 80060733
1-(3-Methylsulfonylcyclohexyl)octan-1-ol
CID 80060862
4-Methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-ol
CID 80060893

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol?
The IUPAC name of 2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol (CID 116712704) is 2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol is CCOC(C1CC1)C(O)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol?
The InChIKey is HGKJPYNVOCNRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4S/c1-3-18-14(10-7-8-10)13(15)11-5-4-6-12(9-11)19(2,16)17/h10-15H,3-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol?
2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol has a molecular weight of 290.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxy-1-(3-methylsulfonylcyclohexyl)ethanol is sourced from PubChem (CID 116712704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).