1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane

C15H28O — CID 70929226

IUPAC1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
SMILESCC(C)(C)/C=C/C1(COC(C)(C)C)CCC1
InChIInChI=1S/C15H28O/c1-13(2,3)10-11-15(8-7-9-15)12-16-14(4,5)6/h10-11H,7-9,12H2,1-6H3/b11-10+
InChIKeyYEIMMZBFXKGNMQ-ZHACJKMWSA-N
MW224.39 g/mol
LogP4.57
Rot. Bonds3

About 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane

1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane (PubChem CID 70929226) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane.

Molecular Properties

Compound Name1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
PubChem CID70929226
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
SMILESCC(C)(C)/C=C/C1(COC(C)(C)C)CCC1
InChIInChI=1S/C15H28O/c1-13(2,3)10-11-15(8-7-9-15)12-16-14(4,5)6/h10-11H,7-9,12H2,1-6H3/b11-10+
InChIKeyYEIMMZBFXKGNMQ-ZHACJKMWSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
The IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane (CID 70929226) is 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane.
What is the SMILES notation for 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
The canonical SMILES for 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane is CC(C)(C)/C=C/C1(COC(C)(C)C)CCC1.
What is the InChIKey of 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
The InChIKey is YEIMMZBFXKGNMQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H28O/c1-13(2,3)10-11-15(8-7-9-15)12-16-14(4,5)6/h10-11H,7-9,12H2,1-6H3/b11-10+.
What are the key properties of 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane has a molecular weight of 224.39 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane is sourced from PubChem (CID 70929226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).