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Methyl 1-methyl-4-methylidenecyclohexane-1-carboxylate

HCID 19004635
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=C1CCC(C)(C(=O)OC)CC1
InChIKey
XPTIVUWZBIFLLD-UHFFFAOYSA-N
Molecular formula
C10H16O2
Average molar mass
168.23 g/mol
Monoisotopic mass
168.11502975

Names & identifiers

Preferred name
Methyl 1-methyl-4-methylidenecyclohexane-1-carboxylate
IUPAC
methyl 1-methyl-4-methylidenecyclohexane-1-carboxylate

Names & synonyms

147905-95-1methyl 1-methyl-4-methylidenecyclohexane-1-carboxylateMethyl 1-methyl-4-methylenecyclohexane-1-carboxylateSCHEMBL9043939XPTIVUWZBIFLLD-UHFFFAOYSA-NAT54649EN300-26983404methyl 1-methyl-4-methylene-1-cyclohexanecarboxylate

Database identifiers

PubChem CID
19004635

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
196

Related reactions

4 records
New reaction record
HRID 169098 reaction equation
HRID 169098As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1117138 reaction equation
HRID 1117138As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2225497 reaction equation
HRID 2225497As productuspto-grants-1994_09
HRID 2225498 reaction equation
HRID 2225498As reactantuspto-grants-1994_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes