methyl 2-(2-methylcyclohexylidene)acetate

C10H16O2 — CID 71356979

IUPACmethyl 2-(2-methylcyclohexylidene)acetate
SMILESCOC(=O)C=C1CCCCC1C
InChIInChI=1S/C10H16O2/c1-8-5-3-4-6-9(8)7-10(11)12-2/h7-8H,3-6H2,1-2H3
InChIKeyWPQWBDMYEIECGY-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds1

About methyl 2-(2-methylcyclohexylidene)acetate

methyl 2-(2-methylcyclohexylidene)acetate (PubChem CID 71356979) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl 2-(2-methylcyclohexylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methylcyclohexylidene)acetate
PubChem CID71356979
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl 2-(2-methylcyclohexylidene)acetate
SMILESCOC(=O)C=C1CCCCC1C
InChIInChI=1S/C10H16O2/c1-8-5-3-4-6-9(8)7-10(11)12-2/h7-8H,3-6H2,1-2H3
InChIKeyWPQWBDMYEIECGY-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylcyclohexylidene)acetate?
The IUPAC name of methyl 2-(2-methylcyclohexylidene)acetate (CID 71356979) is methyl 2-(2-methylcyclohexylidene)acetate.
What is the SMILES notation for methyl 2-(2-methylcyclohexylidene)acetate?
The canonical SMILES for methyl 2-(2-methylcyclohexylidene)acetate is COC(=O)C=C1CCCCC1C.
What is the InChIKey of methyl 2-(2-methylcyclohexylidene)acetate?
The InChIKey is WPQWBDMYEIECGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-5-3-4-6-9(8)7-10(11)12-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 2-(2-methylcyclohexylidene)acetate?
methyl 2-(2-methylcyclohexylidene)acetate has a molecular weight of 168.24 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylcyclohexylidene)acetate is sourced from PubChem (CID 71356979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).