1,1,2-trimethyl-4-(2-methylprop-2-enyl)cyclobutane

C11H20 — CID 22982998

IUPAC1,1,2-trimethyl-4-(2-methylprop-2-enyl)cyclobutane
SMILESC=C(C)CC1CC(C)C1(C)C
InChIInChI=1S/C11H20/c1-8(2)6-10-7-9(3)11(10,4)5/h9-10H,1,6-7H2,2-5H3
InChIKeyKSDBEKVBENNLIR-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.63
Rot. Bonds2

About 1,1,2-trimethyl-4-(2-methylprop-2-enyl)cyclobutane

1,1,2-trimethyl-4-(2-methylprop-2-enyl)cyclobutane (PubChem CID 22982998) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1,1,2-trimethyl-4-(2-methylprop-2-enyl)cyclobutane.

Molecular Properties

Compound Name1,1,2-trimethyl-4-(2-methylprop-2-enyl)cyclobutane
PubChem CID22982998
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1,1,2-trimethyl-4-(2-methylprop-2-enyl)cyclobutane
SMILESC=C(C)CC1CC(C)C1(C)C
InChIInChI=1S/C11H20/c1-8(2)6-10-7-9(3)11(10,4)5/h9-10H,1,6-7H2,2-5H3
InChIKeyKSDBEKVBENNLIR-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1,2-trimethyl-4-(2-methylprop-2-enyl)cyclobutane?
The IUPAC name of 1,1,2-trimethyl-4-(2-methylprop-2-enyl)cyclobutane (CID 22982998) is 1,1,2-trimethyl-4-(2-methylprop-2-enyl)cyclobutane.
What is the SMILES notation for 1,1,2-trimethyl-4-(2-methylprop-2-enyl)cyclobutane?
The canonical SMILES for 1,1,2-trimethyl-4-(2-methylprop-2-enyl)cyclobutane is C=C(C)CC1CC(C)C1(C)C.
What is the InChIKey of 1,1,2-trimethyl-4-(2-methylprop-2-enyl)cyclobutane?
The InChIKey is KSDBEKVBENNLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-8(2)6-10-7-9(3)11(10,4)5/h9-10H,1,6-7H2,2-5H3.
What are the key properties of 1,1,2-trimethyl-4-(2-methylprop-2-enyl)cyclobutane?
1,1,2-trimethyl-4-(2-methylprop-2-enyl)cyclobutane has a molecular weight of 152.28 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-4-(2-methylprop-2-enyl)cyclobutane is sourced from PubChem (CID 22982998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).