2-cyclobutyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene

C15H22O — CID 134856995

IUPAC2-cyclobutyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene
SMILESCC(C)(C)OC1C2C=CC1C(C1CCC1)=C2
InChIInChI=1S/C15H22O/c1-15(2,3)16-14-11-7-8-12(14)13(9-11)10-5-4-6-10/h7-12,14H,4-6H2,1-3H3
InChIKeyNNNDHTKNXURSLJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.71
Rot. Bonds2

About 2-cyclobutyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene

2-cyclobutyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene (PubChem CID 134856995) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-cyclobutyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2-cyclobutyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene
PubChem CID134856995
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-cyclobutyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene
SMILESCC(C)(C)OC1C2C=CC1C(C1CCC1)=C2
InChIInChI=1S/C15H22O/c1-15(2,3)16-14-11-7-8-12(14)13(9-11)10-5-4-6-10/h7-12,14H,4-6H2,1-3H3
InChIKeyNNNDHTKNXURSLJ-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.71
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 2-cyclobutyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2-cyclobutyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene (CID 134856995) is 2-cyclobutyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2-cyclobutyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2-cyclobutyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene is CC(C)(C)OC1C2C=CC1C(C1CCC1)=C2.
What is the InChIKey of 2-cyclobutyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is NNNDHTKNXURSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-15(2,3)16-14-11-7-8-12(14)13(9-11)10-5-4-6-10/h7-12,14H,4-6H2,1-3H3.
What are the key properties of 2-cyclobutyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene?
2-cyclobutyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 218.34 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 134856995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).