1-(methoxymethyl)-2-methylsulfanylcyclohexane

C9H18OS — CID 126590788

IUPAC1-(methoxymethyl)-2-methylsulfanylcyclohexane
SMILESCOCC1CCCCC1SC
InChIInChI=1S/C9H18OS/c1-10-7-8-5-3-4-6-9(8)11-2/h8-9H,3-7H2,1-2H3
InChIKeyWHBGNFXBPIKWAV-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.55
Rot. Bonds3

About 1-(methoxymethyl)-2-methylsulfanylcyclohexane

1-(methoxymethyl)-2-methylsulfanylcyclohexane (PubChem CID 126590788) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 1-(methoxymethyl)-2-methylsulfanylcyclohexane.

Molecular Properties

Compound Name1-(methoxymethyl)-2-methylsulfanylcyclohexane
PubChem CID126590788
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name1-(methoxymethyl)-2-methylsulfanylcyclohexane
SMILESCOCC1CCCCC1SC
InChIInChI=1S/C9H18OS/c1-10-7-8-5-3-4-6-9(8)11-2/h8-9H,3-7H2,1-2H3
InChIKeyWHBGNFXBPIKWAV-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(methoxymethyl)cyclohexan-1-amine
CID 89098977
cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane
CID 164821993
(2S)-2-(methoxymethyl)cyclopentan-1-amine
CID 89358977
1-bromo-2-(methoxymethyl)cycloheptane
CID 79570808
1-[2-(methoxymethyl)cycloheptyl]-N-methylmethanamine
CID 81025446
N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 115712458
2-cyclohexyl-3-(methoxymethyl)piperidine
CID 105465441
N-[[2-(methoxymethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024790
2-methylsulfanylcyclohexane-1-thiol
CID 88978519
(1R)-2-methylsulfanylcyclohexan-1-ol
CID 130694561
N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 115712400
trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclododecane
CID 14113329

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-2-methylsulfanylcyclohexane?
The IUPAC name of 1-(methoxymethyl)-2-methylsulfanylcyclohexane (CID 126590788) is 1-(methoxymethyl)-2-methylsulfanylcyclohexane.
What is the SMILES notation for 1-(methoxymethyl)-2-methylsulfanylcyclohexane?
The canonical SMILES for 1-(methoxymethyl)-2-methylsulfanylcyclohexane is COCC1CCCCC1SC.
What is the InChIKey of 1-(methoxymethyl)-2-methylsulfanylcyclohexane?
The InChIKey is WHBGNFXBPIKWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-10-7-8-5-3-4-6-9(8)11-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(methoxymethyl)-2-methylsulfanylcyclohexane?
1-(methoxymethyl)-2-methylsulfanylcyclohexane has a molecular weight of 174.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-2-methylsulfanylcyclohexane is sourced from PubChem (CID 126590788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).