ethyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate

C10H16O2 — CID 164948318

IUPACethyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate
SMILESC=C1CC(C(=O)OCC)C1(C)C
InChIInChI=1S/C10H16O2/c1-5-12-9(11)8-6-7(2)10(8,3)4/h8H,2,5-6H2,1,3-4H3
InChIKeyUYUSNUPHQVHBEF-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds2

About ethyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate

ethyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate (PubChem CID 164948318) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate
PubChem CID164948318
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameethyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate
SMILESC=C1CC(C(=O)OCC)C1(C)C
InChIInChI=1S/C10H16O2/c1-5-12-9(11)8-6-7(2)10(8,3)4/h8H,2,5-6H2,1,3-4H3
InChIKeyUYUSNUPHQVHBEF-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate?
The IUPAC name of ethyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate (CID 164948318) is ethyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate?
The canonical SMILES for ethyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate is C=C1CC(C(=O)OCC)C1(C)C.
What is the InChIKey of ethyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate?
The InChIKey is UYUSNUPHQVHBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-12-9(11)8-6-7(2)10(8,3)4/h8H,2,5-6H2,1,3-4H3.
What are the key properties of ethyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate?
ethyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate is sourced from PubChem (CID 164948318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).