methyl 2-cyclohex-2-en-1-ylideneacetate

C9H12O2 — CID 73182472

IUPACmethyl 2-cyclohex-2-en-1-ylideneacetate
SMILESCOC(=O)C=C1C=CCCC1
InChIInChI=1S/C9H12O2/c1-11-9(10)7-8-5-3-2-4-6-8/h3,5,7H,2,4,6H2,1H3
InChIKeyJREXMLWGPKSZOP-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.83
Rot. Bonds1

About methyl 2-cyclohex-2-en-1-ylideneacetate

methyl 2-cyclohex-2-en-1-ylideneacetate (PubChem CID 73182472) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is methyl 2-cyclohex-2-en-1-ylideneacetate.

Molecular Properties

Compound Namemethyl 2-cyclohex-2-en-1-ylideneacetate
PubChem CID73182472
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namemethyl 2-cyclohex-2-en-1-ylideneacetate
SMILESCOC(=O)C=C1C=CCCC1
InChIInChI=1S/C9H12O2/c1-11-9(10)7-8-5-3-2-4-6-8/h3,5,7H,2,4,6H2,1H3
InChIKeyJREXMLWGPKSZOP-UHFFFAOYSA-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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Related Compounds

Ethyl 2,4-decadienoate, (2E,4Z)-
CID 5281162
Methyl geranate
CID 5365910
Methyl oct-2-enoate
CID 5364532
Methyl 2,4-decadienoate, (2E,4Z)-
CID 6436336
2,4-Decadienoic acid, ethyl ester, (2E,4E)-
CID 5371455
Propyl 2,4-decadienoate, (2E,4E)-
CID 5362592
2-Octenoic acid, methyl ester
CID 61313
Methyl farnesoate
CID 5275508
Propyl deca-2,4-dienoate
CID 119922
Propyl (2E,4Z)-2,4-decadienoate
CID 6438200
Methyl nerate
CID 5365912
2-Octenoic acid, methyl ester, (2Z)-
CID 11040937

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohex-2-en-1-ylideneacetate?
The IUPAC name of methyl 2-cyclohex-2-en-1-ylideneacetate (CID 73182472) is methyl 2-cyclohex-2-en-1-ylideneacetate.
What is the SMILES notation for methyl 2-cyclohex-2-en-1-ylideneacetate?
The canonical SMILES for methyl 2-cyclohex-2-en-1-ylideneacetate is COC(=O)C=C1C=CCCC1.
What is the InChIKey of methyl 2-cyclohex-2-en-1-ylideneacetate?
The InChIKey is JREXMLWGPKSZOP-UHFFFAOYSA-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.
What are the key properties of methyl 2-cyclohex-2-en-1-ylideneacetate?
methyl 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 2-cyclohex-2-en-1-ylideneacetate is sourced from PubChem (CID 73182472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).