(2S)-1,1,2-trimethylcyclopropane

C6H12 — CID 25022262

IUPAC(2S)-1,1,2-trimethylcyclopropane
SMILESC[C@H]1CC1(C)C
InChIInChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyBXIIJPAVISPOGI-YFKPBYRVSA-N
MW84.16 g/mol
LogP2.05
Rot. Bonds

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

(2S)-1,1,2-trimethylcyclopropane (PubChem CID 25022262) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is (2S)-1,1,2-trimethylcyclopropane.

Molecular Properties

Compound Name(2S)-1,1,2-trimethylcyclopropane
PubChem CID25022262
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Name(2S)-1,1,2-trimethylcyclopropane
SMILESC[C@H]1CC1(C)C
InChIInChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyBXIIJPAVISPOGI-YFKPBYRVSA-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 (2S)-1,1,2-trimethylcyclopropane?
The IUPAC name of (2S)-1,1,2-trimethylcyclopropane (CID 25022262) is (2S)-1,1,2-trimethylcyclopropane.
What is the SMILES notation for (2S)-1,1,2-trimethylcyclopropane?
The canonical SMILES for (2S)-1,1,2-trimethylcyclopropane is C[C@H]1CC1(C)C.
What is the InChIKey of (2S)-1,1,2-trimethylcyclopropane?
The InChIKey is BXIIJPAVISPOGI-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of (2S)-1,1,2-trimethylcyclopropane?
(2S)-1,1,2-trimethylcyclopropane 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 (2S)-1,1,2-trimethylcyclopropane is sourced from PubChem (CID 25022262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).