trans-(1R,3R)-1-ethoxy-3-methoxycyclopentane

C8H16O2 — CID 67489483

IUPACtrans-(1R,3R)-1-ethoxy-3-methoxycyclopentane
SMILESCCO[C@@H]1CC[C@@H](OC)C1
InChIInChI=1S/C8H16O2/c1-3-10-8-5-4-7(6-8)9-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyJSTNEFSYFHRFRA-HTQZYQBOSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds3

About trans-(1R,3R)-1-ethoxy-3-methoxycyclopentane

trans-(1R,3R)-1-ethoxy-3-methoxycyclopentane (PubChem CID 67489483) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is trans-(1R,3R)-1-ethoxy-3-methoxycyclopentane.

Molecular Properties

Compound Nametrans-(1R,3R)-1-ethoxy-3-methoxycyclopentane
PubChem CID67489483
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Nametrans-(1R,3R)-1-ethoxy-3-methoxycyclopentane
SMILESCCO[C@@H]1CC[C@@H](OC)C1
InChIInChI=1S/C8H16O2/c1-3-10-8-5-4-7(6-8)9-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyJSTNEFSYFHRFRA-HTQZYQBOSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dimethoxycyclopentane
CID 551718
trans-1,3-Dimethoxycyclopentane
CID 91696192
cis-1,3-Dimethoxycyclopentane
CID 22214084
Propan-2-yloxycyclopentane
CID 13427980
Butoxycyclopentane
CID 18622369
3-Butoxycyclopentan-1-ol
CID 18952903
3-Propoxycyclopentan-1-ol
CID 18952914
3-Propan-2-yloxycyclopentan-1-ol
CID 18952926
3-Pentoxycyclopentan-1-ol
CID 18953102
Propoxycyclopentane
CID 21491909
1-(4-Propan-2-yloxybutoxy)pentane
CID 23119093
Butan-2-yloxycyclopentane
CID 53756863

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-1-ethoxy-3-methoxycyclopentane?
The IUPAC name of trans-(1R,3R)-1-ethoxy-3-methoxycyclopentane (CID 67489483) is trans-(1R,3R)-1-ethoxy-3-methoxycyclopentane.
What is the SMILES notation for trans-(1R,3R)-1-ethoxy-3-methoxycyclopentane?
The canonical SMILES for trans-(1R,3R)-1-ethoxy-3-methoxycyclopentane is CCO[C@@H]1CC[C@@H](OC)C1.
What is the InChIKey of trans-(1R,3R)-1-ethoxy-3-methoxycyclopentane?
The InChIKey is JSTNEFSYFHRFRA-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-10-8-5-4-7(6-8)9-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,3R)-1-ethoxy-3-methoxycyclopentane?
trans-(1R,3R)-1-ethoxy-3-methoxycyclopentane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-1-ethoxy-3-methoxycyclopentane is sourced from PubChem (CID 67489483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).