ethyl (2Z)-2-(3-methoxypropylidene)-3-methylidenecyclobutane-1-carboxylate

C12H18O3 — CID 134982347

IUPACethyl (2Z)-2-(3-methoxypropylidene)-3-methylidenecyclobutane-1-carboxylate
SMILESC=C1CC(C(=O)OCC)/C1=C/CCOC
InChIInChI=1S/C12H18O3/c1-4-15-12(13)11-8-9(2)10(11)6-5-7-14-3/h6,11H,2,4-5,7-8H2,1,3H3/b10-6+
InChIKeyUMSQWVITEAWCMX-UXBLZVDNSA-N
MW210.27 g/mol
LogP2.09
Rot. Bonds5

About ethyl (2Z)-2-(3-methoxypropylidene)-3-methylidenecyclobutane-1-carboxylate

ethyl (2Z)-2-(3-methoxypropylidene)-3-methylidenecyclobutane-1-carboxylate (PubChem CID 134982347) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is ethyl (2Z)-2-(3-methoxypropylidene)-3-methylidenecyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl (2Z)-2-(3-methoxypropylidene)-3-methylidenecyclobutane-1-carboxylate
PubChem CID134982347
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Nameethyl (2Z)-2-(3-methoxypropylidene)-3-methylidenecyclobutane-1-carboxylate
SMILESC=C1CC(C(=O)OCC)/C1=C/CCOC
InChIInChI=1S/C12H18O3/c1-4-15-12(13)11-8-9(2)10(11)6-5-7-14-3/h6,11H,2,4-5,7-8H2,1,3H3/b10-6+
InChIKeyUMSQWVITEAWCMX-UXBLZVDNSA-N
XLogP2.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(3-methoxypropylidene)-3-methylidenecyclobutane-1-carboxylate?
The IUPAC name of ethyl (2Z)-2-(3-methoxypropylidene)-3-methylidenecyclobutane-1-carboxylate (CID 134982347) is ethyl (2Z)-2-(3-methoxypropylidene)-3-methylidenecyclobutane-1-carboxylate.
What is the SMILES notation for ethyl (2Z)-2-(3-methoxypropylidene)-3-methylidenecyclobutane-1-carboxylate?
The canonical SMILES for ethyl (2Z)-2-(3-methoxypropylidene)-3-methylidenecyclobutane-1-carboxylate is C=C1CC(C(=O)OCC)/C1=C/CCOC.
What is the InChIKey of ethyl (2Z)-2-(3-methoxypropylidene)-3-methylidenecyclobutane-1-carboxylate?
The InChIKey is UMSQWVITEAWCMX-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-15-12(13)11-8-9(2)10(11)6-5-7-14-3/h6,11H,2,4-5,7-8H2,1,3H3/b10-6+.
What are the key properties of ethyl (2Z)-2-(3-methoxypropylidene)-3-methylidenecyclobutane-1-carboxylate?
ethyl (2Z)-2-(3-methoxypropylidene)-3-methylidenecyclobutane-1-carboxylate has a molecular weight of 210.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(3-methoxypropylidene)-3-methylidenecyclobutane-1-carboxylate is sourced from PubChem (CID 134982347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).