(4R)-1-ethenyl-4-ethoxy-2-propylcyclopentene

C12H20O — CID 89129610

IUPAC(4R)-1-ethenyl-4-ethoxy-2-propylcyclopentene
SMILESC=CC1=C(CCC)C[C@@H](OCC)C1
InChIInChI=1S/C12H20O/c1-4-7-11-9-12(13-6-3)8-10(11)5-2/h5,12H,2,4,6-9H2,1,3H3/t12-/m0/s1
InChIKeyLMGOMRDBDFHFFP-LBPRGKRZSA-N
MW180.29 g/mol
LogP3.47
Rot. Bonds5

About (4R)-1-ethenyl-4-ethoxy-2-propylcyclopentene

(4R)-1-ethenyl-4-ethoxy-2-propylcyclopentene (PubChem CID 89129610) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (4R)-1-ethenyl-4-ethoxy-2-propylcyclopentene.

Molecular Properties

Compound Name(4R)-1-ethenyl-4-ethoxy-2-propylcyclopentene
PubChem CID89129610
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(4R)-1-ethenyl-4-ethoxy-2-propylcyclopentene
SMILESC=CC1=C(CCC)C[C@@H](OCC)C1
InChIInChI=1S/C12H20O/c1-4-7-11-9-12(13-6-3)8-10(11)5-2/h5,12H,2,4,6-9H2,1,3H3/t12-/m0/s1
InChIKeyLMGOMRDBDFHFFP-LBPRGKRZSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-ethenyl-4-ethoxy-2-propylcyclopentene?
The IUPAC name of (4R)-1-ethenyl-4-ethoxy-2-propylcyclopentene (CID 89129610) is (4R)-1-ethenyl-4-ethoxy-2-propylcyclopentene.
What is the SMILES notation for (4R)-1-ethenyl-4-ethoxy-2-propylcyclopentene?
The canonical SMILES for (4R)-1-ethenyl-4-ethoxy-2-propylcyclopentene is C=CC1=C(CCC)C[C@@H](OCC)C1.
What is the InChIKey of (4R)-1-ethenyl-4-ethoxy-2-propylcyclopentene?
The InChIKey is LMGOMRDBDFHFFP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H20O/c1-4-7-11-9-12(13-6-3)8-10(11)5-2/h5,12H,2,4,6-9H2,1,3H3/t12-/m0/s1.
What are the key properties of (4R)-1-ethenyl-4-ethoxy-2-propylcyclopentene?
(4R)-1-ethenyl-4-ethoxy-2-propylcyclopentene has a molecular weight of 180.29 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-ethenyl-4-ethoxy-2-propylcyclopentene is sourced from PubChem (CID 89129610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).