5-ethenyl-3-methylidene-5-(4-methylpent-3-enyl)oxolan-2-one

C13H18O2 — CID 134865717

IUPAC5-ethenyl-3-methylidene-5-(4-methylpent-3-enyl)oxolan-2-one
SMILESC=CC1(CCC=C(C)C)CC(=C)C(=O)O1
InChIInChI=1S/C13H18O2/c1-5-13(8-6-7-10(2)3)9-11(4)12(14)15-13/h5,7H,1,4,6,8-9H2,2-3H3
InChIKeyGRILTBUXWRYXTG-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.16
Rot. Bonds4

About 5-ethenyl-3-methylidene-5-(4-methylpent-3-enyl)oxolan-2-one

5-ethenyl-3-methylidene-5-(4-methylpent-3-enyl)oxolan-2-one (PubChem CID 134865717) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5-ethenyl-3-methylidene-5-(4-methylpent-3-enyl)oxolan-2-one.

Molecular Properties

Compound Name5-ethenyl-3-methylidene-5-(4-methylpent-3-enyl)oxolan-2-one
PubChem CID134865717
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name5-ethenyl-3-methylidene-5-(4-methylpent-3-enyl)oxolan-2-one
SMILESC=CC1(CCC=C(C)C)CC(=C)C(=O)O1
InChIInChI=1S/C13H18O2/c1-5-13(8-6-7-10(2)3)9-11(4)12(14)15-13/h5,7H,1,4,6,8-9H2,2-3H3
InChIKeyGRILTBUXWRYXTG-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.16
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

Costunolide
CID 5281437
4-Hydroxy-4-methyl decenoic acid gamma lactone, (7Z)-
CID 11332852
Cyclodeca(b)furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylene-, (3aS-(3aR*,6E,10E,11aS*))-
CID 6436243
(6Z,10Z)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 5367559
6,10-Dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 556919
2(3H)-Furanone, 5-(3-hexenyl)dihydro-5-methyl-, (E)-
CID 6436439
Orin lactone
CID 9942315
Plakolide A
CID 641587
(3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 5458201
(3aR,6E,10E,14E,15aS)-6,10,14-trimethyl-3-methylidene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
CID 10040485
(4R)-3-methylidene-4-[(E)-3-methyl-4-(4-methyl-5-oxooxolan-2-yl)but-2-enyl]oxolan-2-one
CID 14733728
Inunolide
CID 135398058

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-methylidene-5-(4-methylpent-3-enyl)oxolan-2-one?
The IUPAC name of 5-ethenyl-3-methylidene-5-(4-methylpent-3-enyl)oxolan-2-one (CID 134865717) is 5-ethenyl-3-methylidene-5-(4-methylpent-3-enyl)oxolan-2-one.
What is the SMILES notation for 5-ethenyl-3-methylidene-5-(4-methylpent-3-enyl)oxolan-2-one?
The canonical SMILES for 5-ethenyl-3-methylidene-5-(4-methylpent-3-enyl)oxolan-2-one is C=CC1(CCC=C(C)C)CC(=C)C(=O)O1.
What is the InChIKey of 5-ethenyl-3-methylidene-5-(4-methylpent-3-enyl)oxolan-2-one?
The InChIKey is GRILTBUXWRYXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-5-13(8-6-7-10(2)3)9-11(4)12(14)15-13/h5,7H,1,4,6,8-9H2,2-3H3.
What are the key properties of 5-ethenyl-3-methylidene-5-(4-methylpent-3-enyl)oxolan-2-one?
5-ethenyl-3-methylidene-5-(4-methylpent-3-enyl)oxolan-2-one has a molecular weight of 206.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-methylidene-5-(4-methylpent-3-enyl)oxolan-2-one is sourced from PubChem (CID 134865717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).