(3Z)-3-ethylidene-5-methyloxolan-2-one;nonane

C16H30O2 — CID 143453899

IUPAC(3Z)-3-ethylidene-5-methyloxolan-2-one;nonane
SMILESC/C=C1/CC(C)OC1=O.CCCCCCCCC
InChIInChI=1S/C9H20.C7H10O2/c1-3-5-7-9-8-6-4-2;1-3-6-4-5(2)9-7(6)8/h3-9H2,1-2H3;3,5H,4H2,1-2H3/b;6-3-
InChIKeyHJSFZLYWGJCVKP-HNIPKTKKSA-N
MW254.41 g/mol
LogP5.03
Rot. Bonds6

About (3Z)-3-ethylidene-5-methyloxolan-2-one;nonane

(3Z)-3-ethylidene-5-methyloxolan-2-one;nonane (PubChem CID 143453899) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (3Z)-3-ethylidene-5-methyloxolan-2-one;nonane.

Molecular Properties

Compound Name(3Z)-3-ethylidene-5-methyloxolan-2-one;nonane
PubChem CID143453899
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(3Z)-3-ethylidene-5-methyloxolan-2-one;nonane
SMILESC/C=C1/CC(C)OC1=O.CCCCCCCCC
InChIInChI=1S/C9H20.C7H10O2/c1-3-5-7-9-8-6-4-2;1-3-6-4-5(2)9-7(6)8/h3-9H2,1-2H3;3,5H,4H2,1-2H3/b;6-3-
InChIKeyHJSFZLYWGJCVKP-HNIPKTKKSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 50993673
Yezoquinolide
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Muricadienin
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(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
(S,E)-3-(Dodeca-1,11-dien-1-yl)-5-methylfuran-2(5H)-one
CID 10879902
(3E,5S)-3-[(E)-4-methyl-7-(5-oxo-2H-furan-3-yl)hept-4-enylidene]-5-(2-methylprop-1-enyl)tetrahydrofuran-2-one
CID 44179724
Japonilure
CID 6435920
Squamostanal A
CID 85308895
Reticulatamone
CID 85315312
Muridienin 3
CID 131751209
Muridienin 2
CID 131751211

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-5-methyloxolan-2-one;nonane?
The IUPAC name of (3Z)-3-ethylidene-5-methyloxolan-2-one;nonane (CID 143453899) is (3Z)-3-ethylidene-5-methyloxolan-2-one;nonane.
What is the SMILES notation for (3Z)-3-ethylidene-5-methyloxolan-2-one;nonane?
The canonical SMILES for (3Z)-3-ethylidene-5-methyloxolan-2-one;nonane is C/C=C1/CC(C)OC1=O.CCCCCCCCC.
What is the InChIKey of (3Z)-3-ethylidene-5-methyloxolan-2-one;nonane?
The InChIKey is HJSFZLYWGJCVKP-HNIPKTKKSA-N. The full InChI is InChI=1S/C9H20.C7H10O2/c1-3-5-7-9-8-6-4-2;1-3-6-4-5(2)9-7(6)8/h3-9H2,1-2H3;3,5H,4H2,1-2H3/b;6-3-.
What are the key properties of (3Z)-3-ethylidene-5-methyloxolan-2-one;nonane?
(3Z)-3-ethylidene-5-methyloxolan-2-one;nonane has a molecular weight of 254.41 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-5-methyloxolan-2-one;nonane is sourced from PubChem (CID 143453899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).