2-ethylidene-1,1-dimethyl-4-(prop-2-enoxymethyl)cyclobutane

C12H20O — CID 157054638

IUPAC2-ethylidene-1,1-dimethyl-4-(prop-2-enoxymethyl)cyclobutane
SMILESC=CCOCC1CC(=CC)C1(C)C
InChIInChI=1S/C12H20O/c1-5-7-13-9-11-8-10(6-2)12(11,3)4/h5-6,11H,1,7-9H2,2-4H3
InChIKeyVQKHGOHHSCFDHO-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.18
Rot. Bonds4

About 2-ethylidene-1,1-dimethyl-4-(prop-2-enoxymethyl)cyclobutane

2-ethylidene-1,1-dimethyl-4-(prop-2-enoxymethyl)cyclobutane (PubChem CID 157054638) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-ethylidene-1,1-dimethyl-4-(prop-2-enoxymethyl)cyclobutane.

Molecular Properties

Compound Name2-ethylidene-1,1-dimethyl-4-(prop-2-enoxymethyl)cyclobutane
PubChem CID157054638
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-ethylidene-1,1-dimethyl-4-(prop-2-enoxymethyl)cyclobutane
SMILESC=CCOCC1CC(=CC)C1(C)C
InChIInChI=1S/C12H20O/c1-5-7-13-9-11-8-10(6-2)12(11,3)4/h5-6,11H,1,7-9H2,2-4H3
InChIKeyVQKHGOHHSCFDHO-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-1,1-dimethyl-4-(prop-2-enoxymethyl)cyclobutane?
The IUPAC name of 2-ethylidene-1,1-dimethyl-4-(prop-2-enoxymethyl)cyclobutane (CID 157054638) is 2-ethylidene-1,1-dimethyl-4-(prop-2-enoxymethyl)cyclobutane.
What is the SMILES notation for 2-ethylidene-1,1-dimethyl-4-(prop-2-enoxymethyl)cyclobutane?
The canonical SMILES for 2-ethylidene-1,1-dimethyl-4-(prop-2-enoxymethyl)cyclobutane is C=CCOCC1CC(=CC)C1(C)C.
What is the InChIKey of 2-ethylidene-1,1-dimethyl-4-(prop-2-enoxymethyl)cyclobutane?
The InChIKey is VQKHGOHHSCFDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-5-7-13-9-11-8-10(6-2)12(11,3)4/h5-6,11H,1,7-9H2,2-4H3.
What are the key properties of 2-ethylidene-1,1-dimethyl-4-(prop-2-enoxymethyl)cyclobutane?
2-ethylidene-1,1-dimethyl-4-(prop-2-enoxymethyl)cyclobutane has a molecular weight of 180.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-1,1-dimethyl-4-(prop-2-enoxymethyl)cyclobutane is sourced from PubChem (CID 157054638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).