trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol

C8H14O2 — CID 11205806

IUPACtrans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol
SMILESC=CCO[C@@H]1CCC[C@H]1O
InChIInChI=1S/C8H14O2/c1-2-6-10-8-5-3-4-7(8)9/h2,7-9H,1,3-6H2/t7-,8-/m1/s1
InChIKeyUERMFJRSLKXKOL-HTQZYQBOSA-N
MW142.20 g/mol
LogP1.10
Rot. Bonds3

About trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol

trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol (PubChem CID 11205806) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol
PubChem CID11205806
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Nametrans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol
SMILESC=CCO[C@@H]1CCC[C@H]1O
InChIInChI=1S/C8H14O2/c1-2-6-10-8-5-3-4-7(8)9/h2,7-9H,1,3-6H2/t7-,8-/m1/s1
InChIKeyUERMFJRSLKXKOL-HTQZYQBOSA-N
XLogP1.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol (CID 11205806) is trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol is C=CCO[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol?
The InChIKey is UERMFJRSLKXKOL-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-6-10-8-5-3-4-7(8)9/h2,7-9H,1,3-6H2/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol?
trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol has a molecular weight of 142.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol is sourced from PubChem (CID 11205806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).