methyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate

C11H18O2 — CID 129216486

IUPACmethyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate
SMILESCCC1CC=CC(C)C1C(=O)OC
InChIInChI=1S/C11H18O2/c1-4-9-7-5-6-8(2)10(9)11(12)13-3/h5-6,8-10H,4,7H2,1-3H3
InChIKeyLZPGKRXJTRGYFD-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.40
Rot. Bonds2

About methyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate

methyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate (PubChem CID 129216486) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate
PubChem CID129216486
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate
SMILESCCC1CC=CC(C)C1C(=O)OC
InChIInChI=1S/C11H18O2/c1-4-9-7-5-6-8(2)10(9)11(12)13-3/h5-6,8-10H,4,7H2,1-3H3
InChIKeyLZPGKRXJTRGYFD-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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

(1R,2R,6R)-6-ethoxycarbonyl-2-methylcyclohex-3-ene-1-carboxylic acid
CID 144904032
dimethyl 3-ethyl-6-methylcyclohexane-1,2-dicarboxylate
CID 151130651
benzyl (1R,2S,6S)-2,6-dimethylcyclohex-3-ene-1-carboxylate
CID 134979924
methyl (1S)-2-amino-6-methylcyclohex-3-ene-1-carboxylate
CID 67989273
dipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate
CID 66938232
3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid
CID 21351497
dimethyl (1S,2R,3S)-3-hydroxycyclohex-4-ene-1,2-dicarboxylate
CID 25224363
dimethyl (1S,2R,3R)-3-butylcyclohex-4-ene-1,2-dicarboxylate
CID 117062089
(1S,2S,3R)-3-methylcyclohex-4-ene-1,2-dicarboxylic acid
CID 98091255
1-O-ethyl 6-O-methyl (1S,2S,6S,8S)-8-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1,6-dicarboxylate
CID 10447272
(1S,2R,6R)-6-(carboxyamino)-2-methylcyclohex-3-ene-1-carboxylic acid
CID 130252868
methyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate
CID 171514693

Frequently Asked Questions

What is the IUPAC name of methyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate (CID 129216486) is methyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate is CCC1CC=CC(C)C1C(=O)OC.
What is the InChIKey of methyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate?
The InChIKey is LZPGKRXJTRGYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-9-7-5-6-8(2)10(9)11(12)13-3/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of methyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate?
methyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 129216486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).