1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane

C16H30O — CID 70929227

IUPAC1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
SMILESCC(C)(C)/C=C/CC1(COC(C)(C)C)CCC1
InChIInChI=1S/C16H30O/c1-14(2,3)9-7-10-16(11-8-12-16)13-17-15(4,5)6/h7,9H,8,10-13H2,1-6H3/b9-7+
InChIKeyVRYRDXWAJVTBJN-VQHVLOKHSA-N
MW238.41 g/mol
LogP4.96
Rot. Bonds4

About 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane

1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane (PubChem CID 70929227) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane.

Molecular Properties

Compound Name1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
PubChem CID70929227
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
SMILESCC(C)(C)/C=C/CC1(COC(C)(C)C)CCC1
InChIInChI=1S/C16H30O/c1-14(2,3)9-7-10-16(11-8-12-16)13-17-15(4,5)6/h7,9H,8,10-13H2,1-6H3/b9-7+
InChIKeyVRYRDXWAJVTBJN-VQHVLOKHSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.96
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)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
The IUPAC name of 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane (CID 70929227) is 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane.
What is the SMILES notation for 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
The canonical SMILES for 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane is CC(C)(C)/C=C/CC1(COC(C)(C)C)CCC1.
What is the InChIKey of 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
The InChIKey is VRYRDXWAJVTBJN-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H30O/c1-14(2,3)9-7-10-16(11-8-12-16)13-17-15(4,5)6/h7,9H,8,10-13H2,1-6H3/b9-7+.
What are the key properties of 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane has a molecular weight of 238.41 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane is sourced from PubChem (CID 70929227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).