trans-(1R,2R)-1,2-di(propan-2-yloxy)cyclohexane

C12H24O2 — CID 13170083

IUPACtrans-(1R,2R)-1,2-di(propan-2-yloxy)cyclohexane
SMILESCC(C)O[C@@H]1CCCC[C@H]1OC(C)C
InChIInChI=1S/C12H24O2/c1-9(2)13-11-7-5-6-8-12(11)14-10(3)4/h9-12H,5-8H2,1-4H3/t11-,12-/m1/s1
InChIKeyABVOXQKKWLRVKR-VXGBXAGGSA-N
MW200.32 g/mol
LogP3.15
Rot. Bonds4

About trans-(1R,2R)-1,2-di(propan-2-yloxy)cyclohexane

trans-(1R,2R)-1,2-di(propan-2-yloxy)cyclohexane (PubChem CID 13170083) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is trans-(1R,2R)-1,2-di(propan-2-yloxy)cyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1,2-di(propan-2-yloxy)cyclohexane
PubChem CID13170083
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Nametrans-(1R,2R)-1,2-di(propan-2-yloxy)cyclohexane
SMILESCC(C)O[C@@H]1CCCC[C@H]1OC(C)C
InChIInChI=1S/C12H24O2/c1-9(2)13-11-7-5-6-8-12(11)14-10(3)4/h9-12H,5-8H2,1-4H3/t11-,12-/m1/s1
InChIKeyABVOXQKKWLRVKR-VXGBXAGGSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1,2-di(propan-2-yloxy)cyclohexane?
The IUPAC name of trans-(1R,2R)-1,2-di(propan-2-yloxy)cyclohexane (CID 13170083) is trans-(1R,2R)-1,2-di(propan-2-yloxy)cyclohexane.
What is the SMILES notation for trans-(1R,2R)-1,2-di(propan-2-yloxy)cyclohexane?
The canonical SMILES for trans-(1R,2R)-1,2-di(propan-2-yloxy)cyclohexane is CC(C)O[C@@H]1CCCC[C@H]1OC(C)C.
What is the InChIKey of trans-(1R,2R)-1,2-di(propan-2-yloxy)cyclohexane?
The InChIKey is ABVOXQKKWLRVKR-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H24O2/c1-9(2)13-11-7-5-6-8-12(11)14-10(3)4/h9-12H,5-8H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-1,2-di(propan-2-yloxy)cyclohexane?
trans-(1R,2R)-1,2-di(propan-2-yloxy)cyclohexane has a molecular weight of 200.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1,2-di(propan-2-yloxy)cyclohexane is sourced from PubChem (CID 13170083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).