ethyl (2Z)-2-(2,6-dimethylinden-1-ylidene)propanoate

C16H18O2 — CID 177439433

IUPACethyl (2Z)-2-(2,6-dimethylinden-1-ylidene)propanoate
SMILESCCOC(=O)/C(C)=C1/C(C)=Cc2ccc(C)cc21
InChIInChI=1S/C16H18O2/c1-5-18-16(17)12(4)15-11(3)9-13-7-6-10(2)8-14(13)15/h6-9H,5H2,1-4H3/b15-12-
InChIKeyACOQVRNRYFINSA-QINSGFPZSA-N
MW242.32 g/mol
LogP3.75
Rot. Bonds2

About ethyl (2Z)-2-(2,6-dimethylinden-1-ylidene)propanoate

ethyl (2Z)-2-(2,6-dimethylinden-1-ylidene)propanoate (PubChem CID 177439433) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl (2Z)-2-(2,6-dimethylinden-1-ylidene)propanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2,6-dimethylinden-1-ylidene)propanoate
PubChem CID177439433
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Nameethyl (2Z)-2-(2,6-dimethylinden-1-ylidene)propanoate
SMILESCCOC(=O)/C(C)=C1/C(C)=Cc2ccc(C)cc21
InChIInChI=1S/C16H18O2/c1-5-18-16(17)12(4)15-11(3)9-13-7-6-10(2)8-14(13)15/h6-9H,5H2,1-4H3/b15-12-
InChIKeyACOQVRNRYFINSA-QINSGFPZSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.75
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

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diethyl 2-[4-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)cyclohexa-2,5-dien-1-ylidene]propanedioate
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ethyl (2Z)-2-(6-methyl-3-oxo-2-benzofuran-1-ylidene)acetate
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CID 87824390
ethyl (2Z)-2-cyano-2-(5-methyl-3-oxoisoindol-1-ylidene)acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2,6-dimethylinden-1-ylidene)propanoate?
The IUPAC name of ethyl (2Z)-2-(2,6-dimethylinden-1-ylidene)propanoate (CID 177439433) is ethyl (2Z)-2-(2,6-dimethylinden-1-ylidene)propanoate.
What is the SMILES notation for ethyl (2Z)-2-(2,6-dimethylinden-1-ylidene)propanoate?
The canonical SMILES for ethyl (2Z)-2-(2,6-dimethylinden-1-ylidene)propanoate is CCOC(=O)/C(C)=C1/C(C)=Cc2ccc(C)cc21.
What is the InChIKey of ethyl (2Z)-2-(2,6-dimethylinden-1-ylidene)propanoate?
The InChIKey is ACOQVRNRYFINSA-QINSGFPZSA-N. The full InChI is InChI=1S/C16H18O2/c1-5-18-16(17)12(4)15-11(3)9-13-7-6-10(2)8-14(13)15/h6-9H,5H2,1-4H3/b15-12-.
What are the key properties of ethyl (2Z)-2-(2,6-dimethylinden-1-ylidene)propanoate?
ethyl (2Z)-2-(2,6-dimethylinden-1-ylidene)propanoate has a molecular weight of 242.32 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2,6-dimethylinden-1-ylidene)propanoate is sourced from PubChem (CID 177439433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).