(2E,5R)-5-ethenyl-2-propylideneoxolan-3-one

C9H12O2 — CID 101370227

IUPAC(2E,5R)-5-ethenyl-2-propylideneoxolan-3-one
SMILESC=C[C@H]1CC(=O)/C(=C\CC)O1
InChIInChI=1S/C9H12O2/c1-3-5-9-8(10)6-7(4-2)11-9/h4-5,7H,2-3,6H2,1H3/b9-5+/t7-/m0/s1
InChIKeyFDIIQHLXXHQQKH-JGESFRBXSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds2

About (2E,5R)-5-ethenyl-2-propylideneoxolan-3-one

(2E,5R)-5-ethenyl-2-propylideneoxolan-3-one (PubChem CID 101370227) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (2E,5R)-5-ethenyl-2-propylideneoxolan-3-one.

Molecular Properties

Compound Name(2E,5R)-5-ethenyl-2-propylideneoxolan-3-one
PubChem CID101370227
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(2E,5R)-5-ethenyl-2-propylideneoxolan-3-one
SMILESC=C[C@H]1CC(=O)/C(=C\CC)O1
InChIInChI=1S/C9H12O2/c1-3-5-9-8(10)6-7(4-2)11-9/h4-5,7H,2-3,6H2,1H3/b9-5+/t7-/m0/s1
InChIKeyFDIIQHLXXHQQKH-JGESFRBXSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Propan-2-yloxycyclopent-2-en-1-one
CID 15143065
(4-Oxocyclopent-2-en-1-yl) 2-oxopropanoate
CID 130032118
(5R)-5-ethenyl-2-propan-2-ylideneoxolan-3-one
CID 45082979
(2Z,5R)-5-ethenyl-2-propylideneoxolan-3-one
CID 131858214
(1Z)-1-[(5R)-5-ethenyloxolan-2-ylidene]propan-2-one
CID 177463502
2,4-Dimethoxycyclopent-2-en-1-one
CID 10219484
4,5-Di(propan-2-yloxy)cyclopent-2-en-1-one
CID 17924339
(4E)-4-ethylidene-2,5-dimethyloxolan-3-one
CID 20566149
4-Ethylidene-2,5-dimethyloxolan-3-one
CID 53672337
4,5-Dipentoxycyclopent-2-en-1-one
CID 69861784
4-Pentoxycyclopent-2-en-1-one
CID 70426291
5-Prop-1-enyloxolan-3-one
CID 140006432

Frequently Asked Questions

What is the IUPAC name of (2E,5R)-5-ethenyl-2-propylideneoxolan-3-one?
The IUPAC name of (2E,5R)-5-ethenyl-2-propylideneoxolan-3-one (CID 101370227) is (2E,5R)-5-ethenyl-2-propylideneoxolan-3-one.
What is the SMILES notation for (2E,5R)-5-ethenyl-2-propylideneoxolan-3-one?
The canonical SMILES for (2E,5R)-5-ethenyl-2-propylideneoxolan-3-one is C=C[C@H]1CC(=O)/C(=C\CC)O1.
What is the InChIKey of (2E,5R)-5-ethenyl-2-propylideneoxolan-3-one?
The InChIKey is FDIIQHLXXHQQKH-JGESFRBXSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-5-9-8(10)6-7(4-2)11-9/h4-5,7H,2-3,6H2,1H3/b9-5+/t7-/m0/s1.
What are the key properties of (2E,5R)-5-ethenyl-2-propylideneoxolan-3-one?
(2E,5R)-5-ethenyl-2-propylideneoxolan-3-one has a molecular weight of 152.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5R)-5-ethenyl-2-propylideneoxolan-3-one is sourced from PubChem (CID 101370227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).