methyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate

C14H24O2 — CID 139497861

IUPACmethyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate
SMILESC=CCC1CCCC(CC)C1(C)C(=O)OC
InChIInChI=1S/C14H24O2/c1-5-8-12-10-7-9-11(6-2)14(12,3)13(15)16-4/h5,11-12H,1,6-10H2,2-4H3
InChIKeyMEUWVYFDRCNYPN-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds4

About methyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate

methyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate (PubChem CID 139497861) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is methyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate
PubChem CID139497861
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namemethyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate
SMILESC=CCC1CCCC(CC)C1(C)C(=O)OC
InChIInChI=1S/C14H24O2/c1-5-8-12-10-7-9-11(6-2)14(12,3)13(15)16-4/h5,11-12H,1,6-10H2,2-4H3
InChIKeyMEUWVYFDRCNYPN-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate?
The IUPAC name of methyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate (CID 139497861) is methyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate is C=CCC1CCCC(CC)C1(C)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate?
The InChIKey is MEUWVYFDRCNYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-8-12-10-7-9-11(6-2)14(12,3)13(15)16-4/h5,11-12H,1,6-10H2,2-4H3.
What are the key properties of methyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate?
methyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate has a molecular weight of 224.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-1-methyl-6-prop-2-enylcyclohexane-1-carboxylate is sourced from PubChem (CID 139497861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).