(3S)-1-(methoxymethyl)-3-methylcyclohexane

C9H18O — CID 142198036

IUPAC(3S)-1-(methoxymethyl)-3-methylcyclohexane
SMILESCOCC1CCC[C@H](C)C1
InChIInChI=1S/C9H18O/c1-8-4-3-5-9(6-8)7-10-2/h8-9H,3-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyIJUCJYFERQMVFZ-IENPIDJESA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds2

About (3S)-1-(methoxymethyl)-3-methylcyclohexane

(3S)-1-(methoxymethyl)-3-methylcyclohexane (PubChem CID 142198036) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (3S)-1-(methoxymethyl)-3-methylcyclohexane.

Molecular Properties

Compound Name(3S)-1-(methoxymethyl)-3-methylcyclohexane
PubChem CID142198036
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(3S)-1-(methoxymethyl)-3-methylcyclohexane
SMILESCOCC1CCC[C@H](C)C1
InChIInChI=1S/C9H18O/c1-8-4-3-5-9(6-8)7-10-2/h8-9H,3-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyIJUCJYFERQMVFZ-IENPIDJESA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
[3-(methoxymethyl)cyclobutyl]methoxymethylcyclopentane
CID 155135222
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine
CID 124574787
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
ethylcyclopentane;methoxymethylcyclopentane
CID 169258977
(3-methylcyclohexyl)methanamine
CID 18361468
3-(methoxymethyl)cycloheptan-1-ol
CID 79570123
N-ethyl-1-methoxy-3-[(3-methylcyclohexyl)methoxy]propan-2-amine
CID 114197059
3-amino-4-methoxy-2-[(3-methylcyclohexyl)methoxy]butan-1-ol
CID 114197074
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(methoxymethyl)-3-methylcyclohexane?
The IUPAC name of (3S)-1-(methoxymethyl)-3-methylcyclohexane (CID 142198036) is (3S)-1-(methoxymethyl)-3-methylcyclohexane.
What is the SMILES notation for (3S)-1-(methoxymethyl)-3-methylcyclohexane?
The canonical SMILES for (3S)-1-(methoxymethyl)-3-methylcyclohexane is COCC1CCC[C@H](C)C1.
What is the InChIKey of (3S)-1-(methoxymethyl)-3-methylcyclohexane?
The InChIKey is IJUCJYFERQMVFZ-IENPIDJESA-N. The full InChI is InChI=1S/C9H18O/c1-8-4-3-5-9(6-8)7-10-2/h8-9H,3-7H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of (3S)-1-(methoxymethyl)-3-methylcyclohexane?
(3S)-1-(methoxymethyl)-3-methylcyclohexane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(methoxymethyl)-3-methylcyclohexane is sourced from PubChem (CID 142198036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).