methyl 2-[(2E)-2-ethylidenecyclohexyl]acetate

C11H18O2 — CID 13298617

IUPACmethyl 2-[(2E)-2-ethylidenecyclohexyl]acetate
SMILESC/C=C1\CCCCC1CC(=O)OC
InChIInChI=1S/C11H18O2/c1-3-9-6-4-5-7-10(9)8-11(12)13-2/h3,10H,4-8H2,1-2H3/b9-3+
InChIKeyWJPYNDONLPUQTB-YCRREMRBSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds2

About methyl 2-[(2E)-2-ethylidenecyclohexyl]acetate

methyl 2-[(2E)-2-ethylidenecyclohexyl]acetate (PubChem CID 13298617) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl 2-[(2E)-2-ethylidenecyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2E)-2-ethylidenecyclohexyl]acetate
PubChem CID13298617
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl 2-[(2E)-2-ethylidenecyclohexyl]acetate
SMILESC/C=C1\CCCCC1CC(=O)OC
InChIInChI=1S/C11H18O2/c1-3-9-6-4-5-7-10(9)8-11(12)13-2/h3,10H,4-8H2,1-2H3/b9-3+
InChIKeyWJPYNDONLPUQTB-YCRREMRBSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl rhodinolate
CID 61290
4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
CID 62117
Citronellyl dodecanoate
CID 21263168
Citronellyl decanoate
CID 57353225
Ethylhexyl Oleate
CID 6438028
Butyloctyl Oleate
CID 71587487
Ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate
CID 93847
3-Cyclohexene-1-carboxylic acid, 1,4-dimethyl-, methyl ester
CID 100881
2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
CID 119800
Oxacyclopentadec-10-en-2-one, 13-methyl-
CID 56842685
Hymenoic acid
CID 25014973
3,7-Dimethyloct-6-en-1-yl tetradecanoate
CID 85793156

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2E)-2-ethylidenecyclohexyl]acetate?
The IUPAC name of methyl 2-[(2E)-2-ethylidenecyclohexyl]acetate (CID 13298617) is methyl 2-[(2E)-2-ethylidenecyclohexyl]acetate.
What is the SMILES notation for methyl 2-[(2E)-2-ethylidenecyclohexyl]acetate?
The canonical SMILES for methyl 2-[(2E)-2-ethylidenecyclohexyl]acetate is C/C=C1\CCCCC1CC(=O)OC.
What is the InChIKey of methyl 2-[(2E)-2-ethylidenecyclohexyl]acetate?
The InChIKey is WJPYNDONLPUQTB-YCRREMRBSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-9-6-4-5-7-10(9)8-11(12)13-2/h3,10H,4-8H2,1-2H3/b9-3+.
What are the key properties of methyl 2-[(2E)-2-ethylidenecyclohexyl]acetate?
methyl 2-[(2E)-2-ethylidenecyclohexyl]acetate has a molecular weight of 182.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2E)-2-ethylidenecyclohexyl]acetate is sourced from PubChem (CID 13298617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).