ethyl (2E)-2-cyclohex-2-en-1-ylideneacetate

C10H14O2 — CID 11513807

IUPACethyl (2E)-2-cyclohex-2-en-1-ylideneacetate
SMILESCCOC(=O)/C=C1/C=CCCC1
InChIInChI=1S/C10H14O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h4,6,8H,2-3,5,7H2,1H3/b9-8-
InChIKeyVNPBALUQOIJITD-HJWRWDBZSA-N
MW166.22 g/mol
LogP2.22
Rot. Bonds2

About ethyl (2E)-2-cyclohex-2-en-1-ylideneacetate

ethyl (2E)-2-cyclohex-2-en-1-ylideneacetate (PubChem CID 11513807) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is ethyl (2E)-2-cyclohex-2-en-1-ylideneacetate.

Molecular Properties

Compound Nameethyl (2E)-2-cyclohex-2-en-1-ylideneacetate
PubChem CID11513807
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Nameethyl (2E)-2-cyclohex-2-en-1-ylideneacetate
SMILESCCOC(=O)/C=C1/C=CCCC1
InChIInChI=1S/C10H14O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h4,6,8H,2-3,5,7H2,1H3/b9-8-
InChIKeyVNPBALUQOIJITD-HJWRWDBZSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate
CID 100915325
ethyl (2E)-2-(4,4-dimethylcyclohex-2-en-1-ylidene)acetate
CID 23000922
ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate
CID 83854803
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
CID 177463101
ethyl 2-cyclobutylideneacetate
CID 15724666
ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
ethyl (2E)-2-[(4S)-4-hydroxycyclopent-2-en-1-ylidene]acetate
CID 177404190
3-butylidenecyclohexene
CID 54334793
ethyl (2E)-2-[3,5-di(cyclohexen-1-yl)cyclohepta-2,4-dien-1-ylidene]acetate
CID 42639984
ethyl (2Z)-2-(thiolan-2-ylidene)acetate
CID 14960020
ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate
CID 11186348
diethyl (7E)-7-(2-ethoxy-2-oxoethylidene)-1,3,5,6-tetrahydroazulene-2,2-dicarboxylate
CID 102276324

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-cyclohex-2-en-1-ylideneacetate?
The IUPAC name of ethyl (2E)-2-cyclohex-2-en-1-ylideneacetate (CID 11513807) is ethyl (2E)-2-cyclohex-2-en-1-ylideneacetate.
What is the SMILES notation for ethyl (2E)-2-cyclohex-2-en-1-ylideneacetate?
The canonical SMILES for ethyl (2E)-2-cyclohex-2-en-1-ylideneacetate is CCOC(=O)/C=C1/C=CCCC1.
What is the InChIKey of ethyl (2E)-2-cyclohex-2-en-1-ylideneacetate?
The InChIKey is VNPBALUQOIJITD-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h4,6,8H,2-3,5,7H2,1H3/b9-8-.
What are the key properties of ethyl (2E)-2-cyclohex-2-en-1-ylideneacetate?
ethyl (2E)-2-cyclohex-2-en-1-ylideneacetate has a molecular weight of 166.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-cyclohex-2-en-1-ylideneacetate is sourced from PubChem (CID 11513807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).