methyl (2Z)-2-(2-methylcyclohexylidene)acetate

C10H16O2 — CID 10241197

IUPACmethyl (2Z)-2-(2-methylcyclohexylidene)acetate
SMILESCOC(=O)/C=C1/CCCCC1C
InChIInChI=1S/C10H16O2/c1-8-5-3-4-6-9(8)7-10(11)12-2/h7-8H,3-6H2,1-2H3/b9-7-
InChIKeyWPQWBDMYEIECGY-CLFYSBASSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds1

About methyl (2Z)-2-(2-methylcyclohexylidene)acetate

methyl (2Z)-2-(2-methylcyclohexylidene)acetate (PubChem CID 10241197) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl (2Z)-2-(2-methylcyclohexylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(2-methylcyclohexylidene)acetate
PubChem CID10241197
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl (2Z)-2-(2-methylcyclohexylidene)acetate
SMILESCOC(=O)/C=C1/CCCCC1C
InChIInChI=1S/C10H16O2/c1-8-5-3-4-6-9(8)7-10(11)12-2/h7-8H,3-6H2,1-2H3/b9-7-
InChIKeyWPQWBDMYEIECGY-CLFYSBASSA-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 (2Z)-2-(2-methylcyclohexylidene)acetate?
The IUPAC name of methyl (2Z)-2-(2-methylcyclohexylidene)acetate (CID 10241197) is methyl (2Z)-2-(2-methylcyclohexylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(2-methylcyclohexylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(2-methylcyclohexylidene)acetate is COC(=O)/C=C1/CCCCC1C.
What is the InChIKey of methyl (2Z)-2-(2-methylcyclohexylidene)acetate?
The InChIKey is WPQWBDMYEIECGY-CLFYSBASSA-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/b9-7-.
What are the key properties of methyl (2Z)-2-(2-methylcyclohexylidene)acetate?
methyl (2Z)-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 (2Z)-2-(2-methylcyclohexylidene)acetate is sourced from PubChem (CID 10241197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).