trans-(1R,2R)-1,2-dimethylcyclobutane

C6H12 — CID 15921793

IUPACtrans-(1R,2R)-1,2-dimethylcyclobutane
SMILESC[C@@H]1CC[C@H]1C
InChIInChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyIVAGOJQDJFWIRT-PHDIDXHHSA-N
MW84.16 g/mol
LogP2.05
Rot. Bonds

About trans-(1R,2R)-1,2-dimethylcyclobutane

trans-(1R,2R)-1,2-dimethylcyclobutane (PubChem CID 15921793) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is trans-(1R,2R)-1,2-dimethylcyclobutane.

Molecular Properties

Compound Nametrans-(1R,2R)-1,2-dimethylcyclobutane
PubChem CID15921793
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Nametrans-(1R,2R)-1,2-dimethylcyclobutane
SMILESC[C@@H]1CC[C@H]1C
InChIInChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyIVAGOJQDJFWIRT-PHDIDXHHSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1,2-dimethylcyclobutane?
The IUPAC name of trans-(1R,2R)-1,2-dimethylcyclobutane (CID 15921793) is trans-(1R,2R)-1,2-dimethylcyclobutane.
What is the SMILES notation for trans-(1R,2R)-1,2-dimethylcyclobutane?
The canonical SMILES for trans-(1R,2R)-1,2-dimethylcyclobutane is C[C@@H]1CC[C@H]1C.
What is the InChIKey of trans-(1R,2R)-1,2-dimethylcyclobutane?
The InChIKey is IVAGOJQDJFWIRT-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-1,2-dimethylcyclobutane?
trans-(1R,2R)-1,2-dimethylcyclobutane has a molecular weight of 84.16 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1,2-dimethylcyclobutane is sourced from PubChem (CID 15921793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).