(3Z)-4-ethenyl-3-ethylideneoxolan-2-one

C8H10O2 — CID 15890707

IUPAC(3Z)-4-ethenyl-3-ethylideneoxolan-2-one
SMILESC=CC1COC(=O)/C1=C\C
InChIInChI=1S/C8H10O2/c1-3-6-5-10-8(9)7(6)4-2/h3-4,6H,1,5H2,2H3/b7-4-
InChIKeyWFFDPYPWRKFUPY-DAXSKMNVSA-N
MW138.17 g/mol
LogP1.29
Rot. Bonds1

About (3Z)-4-ethenyl-3-ethylideneoxolan-2-one

(3Z)-4-ethenyl-3-ethylideneoxolan-2-one (PubChem CID 15890707) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (3Z)-4-ethenyl-3-ethylideneoxolan-2-one.

Molecular Properties

Compound Name(3Z)-4-ethenyl-3-ethylideneoxolan-2-one
PubChem CID15890707
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(3Z)-4-ethenyl-3-ethylideneoxolan-2-one
SMILESC=CC1COC(=O)/C1=C\C
InChIInChI=1S/C8H10O2/c1-3-6-5-10-8(9)7(6)4-2/h3-4,6H,1,5H2,2H3/b7-4-
InChIKeyWFFDPYPWRKFUPY-DAXSKMNVSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.29
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

Anthecotulide
CID 11962174
Berkedienolactone
CID 57379199
(4S)-4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-3-methylideneoxolan-2-one
CID 12050675
4-(3,7-Dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one
CID 73154518
(3E)-3-ethylidenedihydrofuran-2(3H)-one
CID 642784
Vibralactone R
CID 132566489
(3E,4R)-3-hexylidene-4-methyloxolane-2,5-dione
CID 155524477
2-Hexenoic acid, 3-methylbutyl ester, (2E)-
CID 6442048
3-(4-Methylpent-3-enylidene)oxolan-2-one
CID 85762279
(3E)-3-(4-methylpent-3-enylidene)oxolan-2-one
CID 101410410
Vibralactone M
CID 139584560
Pezizolide G
CID 139584610

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-ethenyl-3-ethylideneoxolan-2-one?
The IUPAC name of (3Z)-4-ethenyl-3-ethylideneoxolan-2-one (CID 15890707) is (3Z)-4-ethenyl-3-ethylideneoxolan-2-one.
What is the SMILES notation for (3Z)-4-ethenyl-3-ethylideneoxolan-2-one?
The canonical SMILES for (3Z)-4-ethenyl-3-ethylideneoxolan-2-one is C=CC1COC(=O)/C1=C\C.
What is the InChIKey of (3Z)-4-ethenyl-3-ethylideneoxolan-2-one?
The InChIKey is WFFDPYPWRKFUPY-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-6-5-10-8(9)7(6)4-2/h3-4,6H,1,5H2,2H3/b7-4-.
What are the key properties of (3Z)-4-ethenyl-3-ethylideneoxolan-2-one?
(3Z)-4-ethenyl-3-ethylideneoxolan-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethenyl-3-ethylideneoxolan-2-one is sourced from PubChem (CID 15890707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).