methyl (E)-6-cyclohexyl-2-methylhex-2-enoate

C14H24O2 — CID 11790851

IUPACmethyl (E)-6-cyclohexyl-2-methylhex-2-enoate
SMILESCOC(=O)/C(C)=C/CCCC1CCCCC1
InChIInChI=1S/C14H24O2/c1-12(14(15)16-2)8-6-7-11-13-9-4-3-5-10-13/h8,13H,3-7,9-11H2,1-2H3/b12-8+
InChIKeyNDVBKBWSXSWEBK-XYOKQWHBSA-N
MW224.34 g/mol
LogP3.86
Rot. Bonds5

About methyl (E)-6-cyclohexyl-2-methylhex-2-enoate

methyl (E)-6-cyclohexyl-2-methylhex-2-enoate (PubChem CID 11790851) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is methyl (E)-6-cyclohexyl-2-methylhex-2-enoate.

Molecular Properties

Compound Namemethyl (E)-6-cyclohexyl-2-methylhex-2-enoate
PubChem CID11790851
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namemethyl (E)-6-cyclohexyl-2-methylhex-2-enoate
SMILESCOC(=O)/C(C)=C/CCCC1CCCCC1
InChIInChI=1S/C14H24O2/c1-12(14(15)16-2)8-6-7-11-13-9-4-3-5-10-13/h8,13H,3-7,9-11H2,1-2H3/b12-8+
InChIKeyNDVBKBWSXSWEBK-XYOKQWHBSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

7-cyclohexyl-2-methylhept-2-enoic acid
CID 57064038
methyl (E)-2-methylhept-2-enoate
CID 13122847
tert-butyl (2R)-2-(6-methoxy-5-methyl-6-oxohex-4-enyl)-7-oxoazepane-1-carboxylate
CID 59924267
methyl 4-cyclooctyl-2-methylbut-2-enoate;methyl 2-(cyclooctylmethyl)prop-2-enoate
CID 175495445
methyl 2-methyloct-2-enoate
CID 71403822
methyl 4-cyclohexyl-2-oxobutanoate
CID 102124215
methyl 7-amino-2-methylhept-2-enoate
CID 86161223
methyl 4-[cyclohexyl(methyl)amino]-2-methylbut-2-enoate
CID 77076301
methyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate
CID 18370113
tert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate
CID 11053722
methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate
CID 22862396
methyl (Z)-2-methyl-6-oxohept-2-enoate
CID 11480688

Frequently Asked Questions

What is the IUPAC name of methyl (E)-6-cyclohexyl-2-methylhex-2-enoate?
The IUPAC name of methyl (E)-6-cyclohexyl-2-methylhex-2-enoate (CID 11790851) is methyl (E)-6-cyclohexyl-2-methylhex-2-enoate.
What is the SMILES notation for methyl (E)-6-cyclohexyl-2-methylhex-2-enoate?
The canonical SMILES for methyl (E)-6-cyclohexyl-2-methylhex-2-enoate is COC(=O)/C(C)=C/CCCC1CCCCC1.
What is the InChIKey of methyl (E)-6-cyclohexyl-2-methylhex-2-enoate?
The InChIKey is NDVBKBWSXSWEBK-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H24O2/c1-12(14(15)16-2)8-6-7-11-13-9-4-3-5-10-13/h8,13H,3-7,9-11H2,1-2H3/b12-8+.
What are the key properties of methyl (E)-6-cyclohexyl-2-methylhex-2-enoate?
methyl (E)-6-cyclohexyl-2-methylhex-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-6-cyclohexyl-2-methylhex-2-enoate is sourced from PubChem (CID 11790851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).