methylsulfanyloxymethylcyclohexane

C8H16OS — CID 70222549

IUPACmethylsulfanyloxymethylcyclohexane
SMILESCSOCC1CCCCC1
InChIInChI=1S/C8H16OS/c1-10-9-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyDMNCRNDBFNGXKB-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.86
Rot. Bonds3

About methylsulfanyloxymethylcyclohexane

methylsulfanyloxymethylcyclohexane (PubChem CID 70222549) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is methylsulfanyloxymethylcyclohexane.

Molecular Properties

Compound Namemethylsulfanyloxymethylcyclohexane
PubChem CID70222549
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Namemethylsulfanyloxymethylcyclohexane
SMILESCSOCC1CCCCC1
InChIInChI=1S/C8H16OS/c1-10-9-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyDMNCRNDBFNGXKB-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethoxymethylcyclooctane
CID 70370569
cyclohexylmethoxymethylcyclohexane;hydroxylamine
CID 67759423
cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane
CID 174908022
2-methoxyethoxymethylcyclooctane
CID 3020404
cyclohexylmethoxy(ethyl)silane
CID 172748096
cyclohexylmethoxymethylsilane
CID 71346354
2-methylsulfanylethylcyclohexane
CID 14024904
methylsulfanylmethylcyclohexane;propane
CID 90890228
1-(cyclohexylmethoxy)-4-methylcyclohexane
CID 21137244
ethylcyclopentane;methoxymethylcyclopentane
CID 169258977
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
butylperoxymethylcyclohexane
CID 139855093

Frequently Asked Questions

What is the IUPAC name of methylsulfanyloxymethylcyclohexane?
The IUPAC name of methylsulfanyloxymethylcyclohexane (CID 70222549) is methylsulfanyloxymethylcyclohexane.
What is the SMILES notation for methylsulfanyloxymethylcyclohexane?
The canonical SMILES for methylsulfanyloxymethylcyclohexane is CSOCC1CCCCC1.
What is the InChIKey of methylsulfanyloxymethylcyclohexane?
The InChIKey is DMNCRNDBFNGXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-10-9-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3.
What are the key properties of methylsulfanyloxymethylcyclohexane?
methylsulfanyloxymethylcyclohexane has a molecular weight of 160.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyloxymethylcyclohexane is sourced from PubChem (CID 70222549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).