ethyl (2E)-2-[5-ethyl-5-(2-methylprop-1-enyl)oxolan-2-ylidene]acetate

C14H22O3 — CID 134901992

IUPACethyl (2E)-2-[5-ethyl-5-(2-methylprop-1-enyl)oxolan-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\CCC(C=C(C)C)(CC)O1
InChIInChI=1S/C14H22O3/c1-5-14(10-11(3)4)8-7-12(17-14)9-13(15)16-6-2/h9-10H,5-8H2,1-4H3/b12-9+
InChIKeyGYHVOFNVXUWSJA-FMIVXFBMSA-N
MW238.33 g/mol
LogP3.36
Rot. Bonds4

About ethyl (2E)-2-[5-ethyl-5-(2-methylprop-1-enyl)oxolan-2-ylidene]acetate

ethyl (2E)-2-[5-ethyl-5-(2-methylprop-1-enyl)oxolan-2-ylidene]acetate (PubChem CID 134901992) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethyl (2E)-2-[5-ethyl-5-(2-methylprop-1-enyl)oxolan-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[5-ethyl-5-(2-methylprop-1-enyl)oxolan-2-ylidene]acetate
PubChem CID134901992
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Nameethyl (2E)-2-[5-ethyl-5-(2-methylprop-1-enyl)oxolan-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\CCC(C=C(C)C)(CC)O1
InChIInChI=1S/C14H22O3/c1-5-14(10-11(3)4)8-7-12(17-14)9-13(15)16-6-2/h9-10H,5-8H2,1-4H3/b12-9+
InChIKeyGYHVOFNVXUWSJA-FMIVXFBMSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.36
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

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CID 6386037
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CID 11573100
Sinodor
CID 89382
Spongosoritin A
CID 11522149
3,7-Dimethyloct-6-enyl but-2-enoate
CID 50024
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
methyl (2E)-2-[(5S)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]furan-2-ylidene]acetate
CID 162878273
[(3S)-3,7-dimethyloct-6-enyl] (2E)-3,7-dimethylocta-2,6-dienoate
CID 162892777
methyl (2E,6E)-7-[(2R)-5,5-dimethyloxolan-2-yl]-3-methylocta-2,6-dienoate
CID 162922478

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[5-ethyl-5-(2-methylprop-1-enyl)oxolan-2-ylidene]acetate?
The IUPAC name of ethyl (2E)-2-[5-ethyl-5-(2-methylprop-1-enyl)oxolan-2-ylidene]acetate (CID 134901992) is ethyl (2E)-2-[5-ethyl-5-(2-methylprop-1-enyl)oxolan-2-ylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[5-ethyl-5-(2-methylprop-1-enyl)oxolan-2-ylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[5-ethyl-5-(2-methylprop-1-enyl)oxolan-2-ylidene]acetate is CCOC(=O)/C=C1\CCC(C=C(C)C)(CC)O1.
What is the InChIKey of ethyl (2E)-2-[5-ethyl-5-(2-methylprop-1-enyl)oxolan-2-ylidene]acetate?
The InChIKey is GYHVOFNVXUWSJA-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-14(10-11(3)4)8-7-12(17-14)9-13(15)16-6-2/h9-10H,5-8H2,1-4H3/b12-9+.
What are the key properties of ethyl (2E)-2-[5-ethyl-5-(2-methylprop-1-enyl)oxolan-2-ylidene]acetate?
ethyl (2E)-2-[5-ethyl-5-(2-methylprop-1-enyl)oxolan-2-ylidene]acetate has a molecular weight of 238.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[5-ethyl-5-(2-methylprop-1-enyl)oxolan-2-ylidene]acetate is sourced from PubChem (CID 134901992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).