trans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane

C12H24O — CID 149361841

IUPACtrans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane
SMILESCCC(C)(C)[C@@H]1CCCC[C@H]1OC
InChIInChI=1S/C12H24O/c1-5-12(2,3)10-8-6-7-9-11(10)13-4/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyYIBFVHYURULQIP-GHMZBOCLSA-N
MW184.32 g/mol
LogP3.63
Rot. Bonds3

About trans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane

trans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane (PubChem CID 149361841) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is trans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane
PubChem CID149361841
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Nametrans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane
SMILESCCC(C)(C)[C@@H]1CCCC[C@H]1OC
InChIInChI=1S/C12H24O/c1-5-12(2,3)10-8-6-7-9-11(10)13-4/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyYIBFVHYURULQIP-GHMZBOCLSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane?
The IUPAC name of trans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane (CID 149361841) is trans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane.
What is the SMILES notation for trans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane?
The canonical SMILES for trans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane is CCC(C)(C)[C@@H]1CCCC[C@H]1OC.
What is the InChIKey of trans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane?
The InChIKey is YIBFVHYURULQIP-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24O/c1-5-12(2,3)10-8-6-7-9-11(10)13-4/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane?
trans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane has a molecular weight of 184.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane is sourced from PubChem (CID 149361841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).