ethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate

C13H22O2 — CID 10058967

IUPACethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate
SMILESC=C1CCCC(C)(C)C1CC(=O)OCC
InChIInChI=1S/C13H22O2/c1-5-15-12(14)9-11-10(2)7-6-8-13(11,3)4/h11H,2,5-9H2,1,3-4H3
InChIKeyZCMQIDMXZNMLNW-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds3

About ethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate

ethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate (PubChem CID 10058967) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is ethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate
PubChem CID10058967
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nameethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate
SMILESC=C1CCCC(C)(C)C1CC(=O)OCC
InChIInChI=1S/C13H22O2/c1-5-15-12(14)9-11-10(2)7-6-8-13(11,3)4/h11H,2,5-9H2,1,3-4H3
InChIKeyZCMQIDMXZNMLNW-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
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

Cyclohexanecarboxylic acid, 2,2-dimethyl-6-methylene-, methyl ester
CID 11095260
Ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate
CID 166500
Ethyl 4-methylidenecyclohexane-1-carboxylate
CID 15151435
Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene-, 1-acetate
CID 109409
2-Cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl ester
CID 20236378
3-Methyl-5-(5,5,8a-trimethyl-2-methylene-7-oxodecahydro-1-naphthalenyl)pentyl acetate
CID 75368758
Negombatolactone
CID 46939593
Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester
CID 175610
3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-penten-1-yl)-, 2-methylpropyl ester
CID 175120
3-Cyclohexene-1-carboxylic acid, 1-methyl-3-(4-methyl-3-penten-1-yl)-, 2-methylpropyl ester
CID 175121
methyl 5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoate
CID 166633718
[(3R)-5-[(1S,4aR,5S,8aR)-5-formyl-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentyl] acetate
CID 13945198

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate?
The IUPAC name of ethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate (CID 10058967) is ethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate.
What is the SMILES notation for ethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate?
The canonical SMILES for ethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate is C=C1CCCC(C)(C)C1CC(=O)OCC.
What is the InChIKey of ethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate?
The InChIKey is ZCMQIDMXZNMLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-15-12(14)9-11-10(2)7-6-8-13(11,3)4/h11H,2,5-9H2,1,3-4H3.
What are the key properties of ethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate?
ethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate has a molecular weight of 210.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate is sourced from PubChem (CID 10058967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).