(3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one

C10H12O3 — CID 177467595

IUPAC(3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one
SMILESC=C[C@H]1CC/C(=C2\CCOC2=O)O1
InChIInChI=1S/C10H12O3/c1-2-7-3-4-9(13-7)8-5-6-12-10(8)11/h2,7H,1,3-6H2/b9-8-/t7-/m0/s1
InChIKeyUBUCADRZRYIJFS-RDONPILCSA-N
MW180.20 g/mol
LogP1.55
Rot. Bonds1

About (3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one

(3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one (PubChem CID 177467595) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one.

Molecular Properties

Compound Name(3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one
PubChem CID177467595
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one
SMILESC=C[C@H]1CC/C(=C2\CCOC2=O)O1
InChIInChI=1S/C10H12O3/c1-2-7-3-4-9(13-7)8-5-6-12-10(8)11/h2,7H,1,3-6H2/b9-8-/t7-/m0/s1
InChIKeyUBUCADRZRYIJFS-RDONPILCSA-N
XLogP1.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Berkedienolactone
CID 57379199
(3E)-3-[(5E)-5-(2-oxooxolan-3-ylidene)pentylidene]oxolan-2-one
CID 12441193
2(3H)-Furanone, 3-(dihydro-2(3H)-furanylidene)dihydro-
CID 5369034
3-Furancarboxylic acid, 5-ethenyl-4,5-dihydro-2-methyl-, methyl ester
CID 11829832
Ethyl 5-ethenyl-2-methyl-4,5-dihydrofuran-3-carboxylate
CID 12573427
3-Ethylidene-5-(prop-1-en-1-yl)oxolan-2-one
CID 53893902
(3E)-5-[(1E)-buta-1,3-dienyl]-3-propylideneoxolan-2-one
CID 162970750
(3Z)-3-(oxolan-2-ylidene)oxolan-2-one
CID 5383499
3-(Oxolan-2-ylidene)oxolan-2-one
CID 298789
(3E)-5-methyl-3-propylideneoxolan-2-one
CID 10820611
(3Z)-3-ethylidene-5-methyloxolan-2-one
CID 12218635
(3Z)-3-butylidene-5-methyloxolan-2-one
CID 13802010

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one?
The IUPAC name of (3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one (CID 177467595) is (3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one.
What is the SMILES notation for (3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one?
The canonical SMILES for (3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one is C=C[C@H]1CC/C(=C2\CCOC2=O)O1.
What is the InChIKey of (3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one?
The InChIKey is UBUCADRZRYIJFS-RDONPILCSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-7-3-4-9(13-7)8-5-6-12-10(8)11/h2,7H,1,3-6H2/b9-8-/t7-/m0/s1.
What are the key properties of (3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one?
(3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one has a molecular weight of 180.20 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one is sourced from PubChem (CID 177467595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).