trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane

C14H28O — CID 137488514

IUPACtrans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
SMILESCC(C)C1CC[C@@H](C)C[C@H]1OC(C)(C)C
InChIInChI=1S/C14H28O/c1-10(2)12-8-7-11(3)9-13(12)15-14(4,5)6/h10-13H,7-9H2,1-6H3/t11-,12?,13-/m1/s1
InChIKeyGVVHHMCCQBLGPZ-LKOMHFJYSA-N
MW212.38 g/mol
LogP4.26
Rot. Bonds2

About trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane

trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane (PubChem CID 137488514) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Nametrans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
PubChem CID137488514
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Nametrans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
SMILESCC(C)C1CC[C@@H](C)C[C@H]1OC(C)(C)C
InChIInChI=1S/C14H28O/c1-10(2)12-8-7-11(3)9-13(12)15-14(4,5)6/h10-13H,7-9H2,1-6H3/t11-,12?,13-/m1/s1
InChIKeyGVVHHMCCQBLGPZ-LKOMHFJYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol
CID 143659959
1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane
CID 173404047
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
(1R,2S,4S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 70687940
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dimethylpropanoate
CID 12738090
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
trimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxysilane
CID 11138915
methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane
CID 101270451
tert-butyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoate
CID 66339015
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxy-2-methylbutanoate
CID 10999687

Frequently Asked Questions

What is the IUPAC name of trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane?
The IUPAC name of trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane (CID 137488514) is trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane.
What is the SMILES notation for trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane?
The canonical SMILES for trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane is CC(C)C1CC[C@@H](C)C[C@H]1OC(C)(C)C.
What is the InChIKey of trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane?
The InChIKey is GVVHHMCCQBLGPZ-LKOMHFJYSA-N. The full InChI is InChI=1S/C14H28O/c1-10(2)12-8-7-11(3)9-13(12)15-14(4,5)6/h10-13H,7-9H2,1-6H3/t11-,12?,13-/m1/s1.
What are the key properties of trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane?
trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane has a molecular weight of 212.38 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane is sourced from PubChem (CID 137488514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).