methyl (2Z)-2-(2-acetyl-2-methylcyclopentylidene)acetate

C11H16O3 — CID 13429437

IUPACmethyl (2Z)-2-(2-acetyl-2-methylcyclopentylidene)acetate
SMILESCOC(=O)/C=C1/CCCC1(C)C(C)=O
InChIInChI=1S/C11H16O3/c1-8(12)11(2)6-4-5-9(11)7-10(13)14-3/h7H,4-6H2,1-3H3/b9-7-
InChIKeyBDPYKXAISHJMFW-CLFYSBASSA-N
MW196.25 g/mol
LogP1.87
Rot. Bonds2

About methyl (2Z)-2-(2-acetyl-2-methylcyclopentylidene)acetate

methyl (2Z)-2-(2-acetyl-2-methylcyclopentylidene)acetate (PubChem CID 13429437) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl (2Z)-2-(2-acetyl-2-methylcyclopentylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(2-acetyl-2-methylcyclopentylidene)acetate
PubChem CID13429437
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namemethyl (2Z)-2-(2-acetyl-2-methylcyclopentylidene)acetate
SMILESCOC(=O)/C=C1/CCCC1(C)C(C)=O
InChIInChI=1S/C11H16O3/c1-8(12)11(2)6-4-5-9(11)7-10(13)14-3/h7H,4-6H2,1-3H3/b9-7-
InChIKeyBDPYKXAISHJMFW-CLFYSBASSA-N
XLogP1.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 10381862
methyl (2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6-dienoate
CID 11010944
Methyl 3,7,11-trimethyl-10-oxododeca-2,6-dienoate
CID 56628530
[(E,2R)-4-[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]but-3-en-2-yl] acetate
CID 93483123
methyl (2Z,4E)-3-methyl-5-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]penta-2,4-dienoate
CID 162886614
1-(2,6,6-Trimethyl-4-oxocyclohex-2-enyl)buten-3-yl acetate
CID 6365974
methyl (2E)-3-(3-oxocyclopentyl)prop-2-enoate
CID 12809126
methyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate
CID 10241777
(2E)-Methyl 5-(2'-methyl-1',3'-dioxocyclopent-2'-yl)-pent-2-enoate
CID 10331210
Methyl 5-cyclohexyl-3-methyl-5-oxopentene-1-oate
CID 14698632
Methyl 5-cyclohexyl-3-methyl-5-oxopent-2-enoate
CID 53436948
ethyl (E)-4-(1-acetyl-2-oxocyclopentyl)but-2-enoate
CID 10799943

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(2-acetyl-2-methylcyclopentylidene)acetate?
The IUPAC name of methyl (2Z)-2-(2-acetyl-2-methylcyclopentylidene)acetate (CID 13429437) is methyl (2Z)-2-(2-acetyl-2-methylcyclopentylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(2-acetyl-2-methylcyclopentylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(2-acetyl-2-methylcyclopentylidene)acetate is COC(=O)/C=C1/CCCC1(C)C(C)=O.
What is the InChIKey of methyl (2Z)-2-(2-acetyl-2-methylcyclopentylidene)acetate?
The InChIKey is BDPYKXAISHJMFW-CLFYSBASSA-N. The full InChI is InChI=1S/C11H16O3/c1-8(12)11(2)6-4-5-9(11)7-10(13)14-3/h7H,4-6H2,1-3H3/b9-7-.
What are the key properties of methyl (2Z)-2-(2-acetyl-2-methylcyclopentylidene)acetate?
methyl (2Z)-2-(2-acetyl-2-methylcyclopentylidene)acetate has a molecular weight of 196.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(2-acetyl-2-methylcyclopentylidene)acetate is sourced from PubChem (CID 13429437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).