trans-(1R,2R)-2-ethoxycyclohexan-1-ol

C8H16O2 — CID 10920634

IUPACtrans-(1R,2R)-2-ethoxycyclohexan-1-ol
SMILESCCO[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C8H16O2/c1-2-10-8-6-4-3-5-7(8)9/h7-9H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyPKOQGLKMAXRWPD-HTQZYQBOSA-N
MW144.21 g/mol
LogP1.33
Rot. Bonds2

About trans-(1R,2R)-2-ethoxycyclohexan-1-ol

trans-(1R,2R)-2-ethoxycyclohexan-1-ol (PubChem CID 10920634) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is trans-(1R,2R)-2-ethoxycyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-ethoxycyclohexan-1-ol
PubChem CID10920634
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Nametrans-(1R,2R)-2-ethoxycyclohexan-1-ol
SMILESCCO[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C8H16O2/c1-2-10-8-6-4-3-5-7(8)9/h7-9H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyPKOQGLKMAXRWPD-HTQZYQBOSA-N
XLogP1.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-ethoxycyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-ethoxycyclohexan-1-ol (CID 10920634) is trans-(1R,2R)-2-ethoxycyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-ethoxycyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-ethoxycyclohexan-1-ol is CCO[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-ethoxycyclohexan-1-ol?
The InChIKey is PKOQGLKMAXRWPD-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-10-8-6-4-3-5-7(8)9/h7-9H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-ethoxycyclohexan-1-ol?
trans-(1R,2R)-2-ethoxycyclohexan-1-ol has a molecular weight of 144.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-ethoxycyclohexan-1-ol is sourced from PubChem (CID 10920634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).