methyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate

C12H20O2 — CID 107449473

IUPACmethyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate
SMILESCOC(=O)/C=C1/CCCC(C(C)C)C1
InChIInChI=1S/C12H20O2/c1-9(2)11-6-4-5-10(7-11)8-12(13)14-3/h8-9,11H,4-7H2,1-3H3/b10-8-
InChIKeyGMVFTDJVABQRNZ-NTMALXAHSA-N
MW196.29 g/mol
LogP2.93
Rot. Bonds2

About methyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate

methyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate (PubChem CID 107449473) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is methyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate
PubChem CID107449473
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namemethyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate
SMILESCOC(=O)/C=C1/CCCC(C(C)C)C1
InChIInChI=1S/C12H20O2/c1-9(2)11-6-4-5-10(7-11)8-12(13)14-3/h8-9,11H,4-7H2,1-3H3/b10-8-
InChIKeyGMVFTDJVABQRNZ-NTMALXAHSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.93
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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Related Compounds

1-(3-propan-2-ylcyclohexylidene)propan-2-ol
CID 107450770
methyl 2-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ylidene)acetate
CID 171951556
methyl 2-(4-cyclohexylcyclohexylidene)acetate
CID 118992205
methyl (2E)-2-(azepan-4-ylidene)acetate
CID 83846133
methyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate
CID 177162204
methyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate
CID 83847795
methyl 2-[4-(methoxymethyl)cyclohexylidene]acetate
CID 13460372
methyl (2E)-2-[(2Z)-2-(2-methoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10466192
1-(4-propan-2-ylcyclohexylidene)propan-2-one
CID 103970926
methyl (5S)-2-hydroxy-5-propan-2-ylcyclohexene-1-carboxylate
CID 54694601
propan-2-yl 2-(4-hydroxycyclohexylidene)acetate
CID 102199406
methyl 2-(3-cyanocyclobutylidene)acetate
CID 155321008

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate?
The IUPAC name of methyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate (CID 107449473) is methyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate is COC(=O)/C=C1/CCCC(C(C)C)C1.
What is the InChIKey of methyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate?
The InChIKey is GMVFTDJVABQRNZ-NTMALXAHSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)11-6-4-5-10(7-11)8-12(13)14-3/h8-9,11H,4-7H2,1-3H3/b10-8-.
What are the key properties of methyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate?
methyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate has a molecular weight of 196.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate is sourced from PubChem (CID 107449473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).