(2S)-1,1,2-trimethylcyclobutane

C7H14 — CID 59954523

IUPAC(2S)-1,1,2-trimethylcyclobutane
SMILESC[C@H]1CCC1(C)C
InChIInChI=1S/C7H14/c1-6-4-5-7(6,2)3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyWKCRXXSHXACCJV-LURJTMIESA-N
MW98.19 g/mol
LogP2.44
Rot. Bonds

About (2S)-1,1,2-trimethylcyclobutane

(2S)-1,1,2-trimethylcyclobutane (PubChem CID 59954523) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is (2S)-1,1,2-trimethylcyclobutane.

Molecular Properties

Compound Name(2S)-1,1,2-trimethylcyclobutane
PubChem CID59954523
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name(2S)-1,1,2-trimethylcyclobutane
SMILESC[C@H]1CCC1(C)C
InChIInChI=1S/C7H14/c1-6-4-5-7(6,2)3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyWKCRXXSHXACCJV-LURJTMIESA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,2-trimethylcyclobutane?
The IUPAC name of (2S)-1,1,2-trimethylcyclobutane (CID 59954523) is (2S)-1,1,2-trimethylcyclobutane.
What is the SMILES notation for (2S)-1,1,2-trimethylcyclobutane?
The canonical SMILES for (2S)-1,1,2-trimethylcyclobutane is C[C@H]1CCC1(C)C.
What is the InChIKey of (2S)-1,1,2-trimethylcyclobutane?
The InChIKey is WKCRXXSHXACCJV-LURJTMIESA-N. The full InChI is InChI=1S/C7H14/c1-6-4-5-7(6,2)3/h6H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-1,1,2-trimethylcyclobutane?
(2S)-1,1,2-trimethylcyclobutane has a molecular weight of 98.19 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,2-trimethylcyclobutane is sourced from PubChem (CID 59954523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).