ethyl (2Z)-2-(3-propyloxolan-2-ylidene)acetate

C11H18O3 — CID 102183918

IUPACethyl (2Z)-2-(3-propyloxolan-2-ylidene)acetate
SMILESCCCC1CCO/C1=C\C(=O)OCC
InChIInChI=1S/C11H18O3/c1-3-5-9-6-7-14-10(9)8-11(12)13-4-2/h8-9H,3-7H2,1-2H3/b10-8-
InChIKeyLOONBTJYGBBISW-NTMALXAHSA-N
MW198.26 g/mol
LogP2.27
Rot. Bonds4

About ethyl (2Z)-2-(3-propyloxolan-2-ylidene)acetate

ethyl (2Z)-2-(3-propyloxolan-2-ylidene)acetate (PubChem CID 102183918) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is ethyl (2Z)-2-(3-propyloxolan-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(3-propyloxolan-2-ylidene)acetate
PubChem CID102183918
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameethyl (2Z)-2-(3-propyloxolan-2-ylidene)acetate
SMILESCCCC1CCO/C1=C\C(=O)OCC
InChIInChI=1S/C11H18O3/c1-3-5-9-6-7-14-10(9)8-11(12)13-4-2/h8-9H,3-7H2,1-2H3/b10-8-
InChIKeyLOONBTJYGBBISW-NTMALXAHSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 6386037
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6-Heptan-3-yl-4-methylpyran-2-one
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3,7-Dimethyloct-6-enyl but-2-enoate
CID 50024
3-(4-Methyl-L-pentyl)-2-buten-4-olide
CID 86168055
3,7-Dimethyl-6-octenyl 2-methylisocrotonate
CID 5367752
methyl (2Z)-2-[(3R,5S)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methyloxolan-2-ylidene]acetate
CID 9994617
methyl (2Z)-2-[(3R,5S)-3-ethyl-5-[(2S)-2-ethylhexyl]-5-methyloxolan-2-ylidene]acetate
CID 10613891
[(3S)-3,7-dimethyloct-6-enyl] (2E)-3,7-dimethylocta-2,6-dienoate
CID 162892777
Citronellyl 3-methyl-2-butenoate
CID 76965638

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(3-propyloxolan-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(3-propyloxolan-2-ylidene)acetate (CID 102183918) is ethyl (2Z)-2-(3-propyloxolan-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(3-propyloxolan-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(3-propyloxolan-2-ylidene)acetate is CCCC1CCO/C1=C\C(=O)OCC.
What is the InChIKey of ethyl (2Z)-2-(3-propyloxolan-2-ylidene)acetate?
The InChIKey is LOONBTJYGBBISW-NTMALXAHSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-5-9-6-7-14-10(9)8-11(12)13-4-2/h8-9H,3-7H2,1-2H3/b10-8-.
What are the key properties of ethyl (2Z)-2-(3-propyloxolan-2-ylidene)acetate?
ethyl (2Z)-2-(3-propyloxolan-2-ylidene)acetate has a molecular weight of 198.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(3-propyloxolan-2-ylidene)acetate is sourced from PubChem (CID 102183918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).