trans-(1R,2R)-1-methoxy-2-methylcyclohexane

C8H16O — CID 12546407

IUPACtrans-(1R,2R)-1-methoxy-2-methylcyclohexane
SMILESCO[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C8H16O/c1-7-5-3-4-6-8(7)9-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyQDLQQFYNFWYKPM-HTQZYQBOSA-N
MW128.22 g/mol
LogP2.21
Rot. Bonds1

About trans-(1R,2R)-1-methoxy-2-methylcyclohexane

trans-(1R,2R)-1-methoxy-2-methylcyclohexane (PubChem CID 12546407) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is trans-(1R,2R)-1-methoxy-2-methylcyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-methoxy-2-methylcyclohexane
PubChem CID12546407
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Nametrans-(1R,2R)-1-methoxy-2-methylcyclohexane
SMILESCO[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C8H16O/c1-7-5-3-4-6-8(7)9-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyQDLQQFYNFWYKPM-HTQZYQBOSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

iodomethane;1-methoxy-2-methylcyclohexane
CID 168960472
ethane;1-methoxy-2-methylcyclopentane
CID 142110191
1-methoxy-2,6,9-trimethylcyclododecane
CID 70879863
methane;1-methoxy-2-methylcyclohexane;2-methyloxirane;molecular hydrogen
CID 159918634
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
dimethyl-[(1S,2S)-2-methylcyclohexyl]oxysulfanium
CID 10778753
trimethyl-[(1S,2R)-2-methylcyclohexyl]oxysilane
CID 91713350
2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol
CID 104673606
cis-(2S,3R)-3-methoxy-2-methylcycloheptan-1-one
CID 131020764
trans-(1R,2R)-1-(disulfanyloxy)-2-methylcyclohexane
CID 163542679
[(1R,2S)-2-methylcyclohexyl] formate
CID 18611348
2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one
CID 104673383

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-methoxy-2-methylcyclohexane?
The IUPAC name of trans-(1R,2R)-1-methoxy-2-methylcyclohexane (CID 12546407) is trans-(1R,2R)-1-methoxy-2-methylcyclohexane.
What is the SMILES notation for trans-(1R,2R)-1-methoxy-2-methylcyclohexane?
The canonical SMILES for trans-(1R,2R)-1-methoxy-2-methylcyclohexane is CO[C@@H]1CCCC[C@H]1C.
What is the InChIKey of trans-(1R,2R)-1-methoxy-2-methylcyclohexane?
The InChIKey is QDLQQFYNFWYKPM-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16O/c1-7-5-3-4-6-8(7)9-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-1-methoxy-2-methylcyclohexane?
trans-(1R,2R)-1-methoxy-2-methylcyclohexane has a molecular weight of 128.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-methoxy-2-methylcyclohexane is sourced from PubChem (CID 12546407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).