trans-(1R,2R)-1,2-diethoxycyclohexane

C10H20O2 — CID 13170081

IUPACtrans-(1R,2R)-1,2-diethoxycyclohexane
SMILESCCO[C@@H]1CCCC[C@H]1OCC
InChIInChI=1S/C10H20O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyMJONXQBPXHNGIM-NXEZZACHSA-N
MW172.27 g/mol
LogP2.37
Rot. Bonds4

About trans-(1R,2R)-1,2-diethoxycyclohexane

trans-(1R,2R)-1,2-diethoxycyclohexane (PubChem CID 13170081) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is trans-(1R,2R)-1,2-diethoxycyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1,2-diethoxycyclohexane
PubChem CID13170081
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Nametrans-(1R,2R)-1,2-diethoxycyclohexane
SMILESCCO[C@@H]1CCCC[C@H]1OCC
InChIInChI=1S/C10H20O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyMJONXQBPXHNGIM-NXEZZACHSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-ethoxy-2-fluorocyclododecane
CID 177416106
2-ethoxycyclooctan-1-ol
CID 18953000
trans-(1S,2R)-1-ethoxy-2-propylcyclohexane
CID 94034878
[(1R,2R)-2-ethoxycyclohexyl]-trimethylsilane
CID 91703112
[(1R,2S)-2-ethoxycyclohexyl]hydrazine
CID 124537767
2-ethoxycyclopentan-1-amine
CID 16792821
trans-(1R,2R)-1-ethoxy-2-iodocyclopentane
CID 138481777
1-(2-ethoxycyclohexyl)pyrrolidine
CID 143380186
1-(2-ethoxycyclopentyl)oxypropan-2-ol
CID 89392618
cis-(1R,2S)-1-ethoxy-2-prop-1-ynylcyclohexane
CID 100979947
2-ethoxycyclohexane-1-carboxylate
CID 23297187
ethoxycyclooctane
CID 13427982

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1,2-diethoxycyclohexane?
The IUPAC name of trans-(1R,2R)-1,2-diethoxycyclohexane (CID 13170081) is trans-(1R,2R)-1,2-diethoxycyclohexane.
What is the SMILES notation for trans-(1R,2R)-1,2-diethoxycyclohexane?
The canonical SMILES for trans-(1R,2R)-1,2-diethoxycyclohexane is CCO[C@@H]1CCCC[C@H]1OCC.
What is the InChIKey of trans-(1R,2R)-1,2-diethoxycyclohexane?
The InChIKey is MJONXQBPXHNGIM-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-1,2-diethoxycyclohexane?
trans-(1R,2R)-1,2-diethoxycyclohexane has a molecular weight of 172.27 g/mol, XLogP of 2.37, 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-diethoxycyclohexane is sourced from PubChem (CID 13170081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).