methyl (2Z)-2-cyclohex-2-en-1-ylideneacetate

C9H12O2 — CID 13425841

IUPACmethyl (2Z)-2-cyclohex-2-en-1-ylideneacetate
SMILESCOC(=O)/C=C1\C=CCCC1
InChIInChI=1S/C9H12O2/c1-11-9(10)7-8-5-3-2-4-6-8/h3,5,7H,2,4,6H2,1H3/b8-7+
InChIKeyJREXMLWGPKSZOP-BQYQJAHWSA-N
MW152.19 g/mol
LogP1.83
Rot. Bonds1

About methyl (2Z)-2-cyclohex-2-en-1-ylideneacetate

methyl (2Z)-2-cyclohex-2-en-1-ylideneacetate (PubChem CID 13425841) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is methyl (2Z)-2-cyclohex-2-en-1-ylideneacetate.

Molecular Properties

Compound Namemethyl (2Z)-2-cyclohex-2-en-1-ylideneacetate
PubChem CID13425841
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namemethyl (2Z)-2-cyclohex-2-en-1-ylideneacetate
SMILESCOC(=O)/C=C1\C=CCCC1
InChIInChI=1S/C9H12O2/c1-11-9(10)7-8-5-3-2-4-6-8/h3,5,7H,2,4,6H2,1H3/b8-7+
InChIKeyJREXMLWGPKSZOP-BQYQJAHWSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-cyclohex-2-en-1-ylideneacetate?
The IUPAC name of methyl (2Z)-2-cyclohex-2-en-1-ylideneacetate (CID 13425841) is methyl (2Z)-2-cyclohex-2-en-1-ylideneacetate.
What is the SMILES notation for methyl (2Z)-2-cyclohex-2-en-1-ylideneacetate?
The canonical SMILES for methyl (2Z)-2-cyclohex-2-en-1-ylideneacetate is COC(=O)/C=C1\C=CCCC1.
What is the InChIKey of methyl (2Z)-2-cyclohex-2-en-1-ylideneacetate?
The InChIKey is JREXMLWGPKSZOP-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H12O2/c1-11-9(10)7-8-5-3-2-4-6-8/h3,5,7H,2,4,6H2,1H3/b8-7+.
What are the key properties of methyl (2Z)-2-cyclohex-2-en-1-ylideneacetate?
methyl (2Z)-2-cyclohex-2-en-1-ylideneacetate has a molecular weight of 152.19 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-cyclohex-2-en-1-ylideneacetate is sourced from PubChem (CID 13425841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).