trans-(1S,2S)-1,2-bis(prop-2-enoxy)cyclopentane

C11H18O2 — CID 134158736

IUPACtrans-(1S,2S)-1,2-bis(prop-2-enoxy)cyclopentane
SMILESC=CCO[C@H]1CCC[C@@H]1OCC=C
InChIInChI=1S/C11H18O2/c1-3-8-12-10-6-5-7-11(10)13-9-4-2/h3-4,10-11H,1-2,5-9H2/t10-,11-/m0/s1
InChIKeyPGVHIDBHQJYICU-QWRGUYRKSA-N
MW182.26 g/mol
LogP2.31
Rot. Bonds6

About trans-(1S,2S)-1,2-bis(prop-2-enoxy)cyclopentane

trans-(1S,2S)-1,2-bis(prop-2-enoxy)cyclopentane (PubChem CID 134158736) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is trans-(1S,2S)-1,2-bis(prop-2-enoxy)cyclopentane.

Molecular Properties

Compound Nametrans-(1S,2S)-1,2-bis(prop-2-enoxy)cyclopentane
PubChem CID134158736
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nametrans-(1S,2S)-1,2-bis(prop-2-enoxy)cyclopentane
SMILESC=CCO[C@H]1CCC[C@@H]1OCC=C
InChIInChI=1S/C11H18O2/c1-3-8-12-10-6-5-7-11(10)13-9-4-2/h3-4,10-11H,1-2,5-9H2/t10-,11-/m0/s1
InChIKeyPGVHIDBHQJYICU-QWRGUYRKSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
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-(1S,2S)-1,2-bis(prop-2-enoxy)cyclopentane?
The IUPAC name of trans-(1S,2S)-1,2-bis(prop-2-enoxy)cyclopentane (CID 134158736) is trans-(1S,2S)-1,2-bis(prop-2-enoxy)cyclopentane.
What is the SMILES notation for trans-(1S,2S)-1,2-bis(prop-2-enoxy)cyclopentane?
The canonical SMILES for trans-(1S,2S)-1,2-bis(prop-2-enoxy)cyclopentane is C=CCO[C@H]1CCC[C@@H]1OCC=C.
What is the InChIKey of trans-(1S,2S)-1,2-bis(prop-2-enoxy)cyclopentane?
The InChIKey is PGVHIDBHQJYICU-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-8-12-10-6-5-7-11(10)13-9-4-2/h3-4,10-11H,1-2,5-9H2/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-1,2-bis(prop-2-enoxy)cyclopentane?
trans-(1S,2S)-1,2-bis(prop-2-enoxy)cyclopentane has a molecular weight of 182.26 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1,2-bis(prop-2-enoxy)cyclopentane is sourced from PubChem (CID 134158736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).