2,2-diisocyano-1,1,3,3-tetramethylcyclobutane

C10H14N2 — CID 87407568

IUPAC2,2-diisocyano-1,1,3,3-tetramethylcyclobutane
SMILES[C-]#[N+]C1([N+]#[C-])C(C)(C)CC1(C)C
InChIInChI=1S/C10H14N2/c1-8(2)7-9(3,4)10(8,11-5)12-6/h7H2,1-4H3
InChIKeyCZHOFLBJHCCVNE-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.98
Rot. Bonds

About 2,2-diisocyano-1,1,3,3-tetramethylcyclobutane

2,2-diisocyano-1,1,3,3-tetramethylcyclobutane (PubChem CID 87407568) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2,2-diisocyano-1,1,3,3-tetramethylcyclobutane.

Molecular Properties

Compound Name2,2-diisocyano-1,1,3,3-tetramethylcyclobutane
PubChem CID87407568
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2,2-diisocyano-1,1,3,3-tetramethylcyclobutane
SMILES[C-]#[N+]C1([N+]#[C-])C(C)(C)CC1(C)C
InChIInChI=1S/C10H14N2/c1-8(2)7-9(3,4)10(8,11-5)12-6/h7H2,1-4H3
InChIKeyCZHOFLBJHCCVNE-UHFFFAOYSA-N
XLogP2.98
TPSA8.72 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2,2-diisocyano-1,1,3,3-tetramethylcyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-diisocyano-1,1,3,3-tetramethylcyclobutane?
The IUPAC name of 2,2-diisocyano-1,1,3,3-tetramethylcyclobutane (CID 87407568) is 2,2-diisocyano-1,1,3,3-tetramethylcyclobutane.
What is the SMILES notation for 2,2-diisocyano-1,1,3,3-tetramethylcyclobutane?
The canonical SMILES for 2,2-diisocyano-1,1,3,3-tetramethylcyclobutane is [C-]#[N+]C1([N+]#[C-])C(C)(C)CC1(C)C.
What is the InChIKey of 2,2-diisocyano-1,1,3,3-tetramethylcyclobutane?
The InChIKey is CZHOFLBJHCCVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8(2)7-9(3,4)10(8,11-5)12-6/h7H2,1-4H3.
What are the key properties of 2,2-diisocyano-1,1,3,3-tetramethylcyclobutane?
2,2-diisocyano-1,1,3,3-tetramethylcyclobutane has a molecular weight of 162.24 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diisocyano-1,1,3,3-tetramethylcyclobutane is sourced from PubChem (CID 87407568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).