ethyl (2Z)-2-(2,2,7-trimethylcycloheptylidene)propanoate

C15H26O2 — CID 134893600

IUPACethyl (2Z)-2-(2,2,7-trimethylcycloheptylidene)propanoate
SMILESCCOC(=O)/C(C)=C1/C(C)CCCCC1(C)C
InChIInChI=1S/C15H26O2/c1-6-17-14(16)12(3)13-11(2)9-7-8-10-15(13,4)5/h11H,6-10H2,1-5H3/b13-12-
InChIKeyWVTNPIWKVYGVIF-SEYXRHQNSA-N
MW238.37 g/mol
LogP4.10
Rot. Bonds2

About ethyl (2Z)-2-(2,2,7-trimethylcycloheptylidene)propanoate

ethyl (2Z)-2-(2,2,7-trimethylcycloheptylidene)propanoate (PubChem CID 134893600) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethyl (2Z)-2-(2,2,7-trimethylcycloheptylidene)propanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2,2,7-trimethylcycloheptylidene)propanoate
PubChem CID134893600
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameethyl (2Z)-2-(2,2,7-trimethylcycloheptylidene)propanoate
SMILESCCOC(=O)/C(C)=C1/C(C)CCCCC1(C)C
InChIInChI=1S/C15H26O2/c1-6-17-14(16)12(3)13-11(2)9-7-8-10-15(13,4)5/h11H,6-10H2,1-5H3/b13-12-
InChIKeyWVTNPIWKVYGVIF-SEYXRHQNSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.10
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

Ethyl 2-(4-tert-butylcyclohexylidene)-2-fluoroacetate
CID 102572558
Ethyl 2-cycloheptylidenepropanoate
CID 85755256
Ethyl 2-(4-tert-butylcyclohexylidene)acetate
CID 10857107
ethyl (2Z)-2-(3,3-dimethylcyclohexylidene)propanoate
CID 68576019
Methyl 3-cycloheptyl-3-fluoro-2-methylprop-2-enoate
CID 174946155
ethyl (E)-5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoate
CID 54771447
Ethyl 3,7-dimethyldecenoate
CID 129813474
ethyl (2Z)-2-(2,2,6-trimethylcyclohexylidene)propanoate
CID 134872474
Diethyl 2-(2,2,7-trimethylcycloheptylidene)propanedioate
CID 134872543
ethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate
CID 134872571
ethyl (2E)-2-(3-methylcyclohexylidene)propanoate
CID 102005567
Ethyl 2-(4,4-dimethylcyclohexylidene)propanoate
CID 104503489

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2,2,7-trimethylcycloheptylidene)propanoate?
The IUPAC name of ethyl (2Z)-2-(2,2,7-trimethylcycloheptylidene)propanoate (CID 134893600) is ethyl (2Z)-2-(2,2,7-trimethylcycloheptylidene)propanoate.
What is the SMILES notation for ethyl (2Z)-2-(2,2,7-trimethylcycloheptylidene)propanoate?
The canonical SMILES for ethyl (2Z)-2-(2,2,7-trimethylcycloheptylidene)propanoate is CCOC(=O)/C(C)=C1/C(C)CCCCC1(C)C.
What is the InChIKey of ethyl (2Z)-2-(2,2,7-trimethylcycloheptylidene)propanoate?
The InChIKey is WVTNPIWKVYGVIF-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-17-14(16)12(3)13-11(2)9-7-8-10-15(13,4)5/h11H,6-10H2,1-5H3/b13-12-.
What are the key properties of ethyl (2Z)-2-(2,2,7-trimethylcycloheptylidene)propanoate?
ethyl (2Z)-2-(2,2,7-trimethylcycloheptylidene)propanoate has a molecular weight of 238.37 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2,2,7-trimethylcycloheptylidene)propanoate is sourced from PubChem (CID 134893600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).