1-(2,3-dimethylbutyl)-1-methyl-2-methylidenecyclobutane

C12H22 — CID 123200192

IUPAC1-(2,3-dimethylbutyl)-1-methyl-2-methylidenecyclobutane
SMILESC=C1CCC1(C)CC(C)C(C)C
InChIInChI=1S/C12H22/c1-9(2)10(3)8-12(5)7-6-11(12)4/h9-10H,4,6-8H2,1-3,5H3
InChIKeyNWVVHCYSMXEUSR-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds3

About 1-(2,3-dimethylbutyl)-1-methyl-2-methylidenecyclobutane

1-(2,3-dimethylbutyl)-1-methyl-2-methylidenecyclobutane (PubChem CID 123200192) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-(2,3-dimethylbutyl)-1-methyl-2-methylidenecyclobutane.

Molecular Properties

Compound Name1-(2,3-dimethylbutyl)-1-methyl-2-methylidenecyclobutane
PubChem CID123200192
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-(2,3-dimethylbutyl)-1-methyl-2-methylidenecyclobutane
SMILESC=C1CCC1(C)CC(C)C(C)C
InChIInChI=1S/C12H22/c1-9(2)10(3)8-12(5)7-6-11(12)4/h9-10H,4,6-8H2,1-3,5H3
InChIKeyNWVVHCYSMXEUSR-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.02
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-(2,3-dimethylbutyl)-1-methyl-2-methylidenecyclobutane?
The IUPAC name of 1-(2,3-dimethylbutyl)-1-methyl-2-methylidenecyclobutane (CID 123200192) is 1-(2,3-dimethylbutyl)-1-methyl-2-methylidenecyclobutane.
What is the SMILES notation for 1-(2,3-dimethylbutyl)-1-methyl-2-methylidenecyclobutane?
The canonical SMILES for 1-(2,3-dimethylbutyl)-1-methyl-2-methylidenecyclobutane is C=C1CCC1(C)CC(C)C(C)C.
What is the InChIKey of 1-(2,3-dimethylbutyl)-1-methyl-2-methylidenecyclobutane?
The InChIKey is NWVVHCYSMXEUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-9(2)10(3)8-12(5)7-6-11(12)4/h9-10H,4,6-8H2,1-3,5H3.
What are the key properties of 1-(2,3-dimethylbutyl)-1-methyl-2-methylidenecyclobutane?
1-(2,3-dimethylbutyl)-1-methyl-2-methylidenecyclobutane has a molecular weight of 166.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutyl)-1-methyl-2-methylidenecyclobutane is sourced from PubChem (CID 123200192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).