trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropan-1-ol

C10H20O — CID 101836825

IUPACtrans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropan-1-ol
SMILESCC(C)[C@@H]1C[C@@]1(C(C)(C)C)O
InChIInChI=1S/C10H20O/c1-7(2)8-6-10(8,11)9(3,4)5/h7-8,11H,6H2,1-5H3/t8-,10+/m0/s1
InChIKeyYOJVFWGQOBGGIW-WCBMZHEXSA-N
MW156.26 g/mol
LogP2.90
Rot. Bonds2

About trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropan-1-ol

trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropan-1-ol (PubChem CID 101836825) has the molecular formula C10H20O and a molecular weight of 156.26 g/mol. Its IUPAC name is trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropan-1-ol
PubChem CID101836825
Molecular FormulaC10H20O
Molecular Weight156.26 g/mol
Exact Mass156.15
IUPAC Nametrans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropan-1-ol
SMILESCC(C)[C@@H]1C[C@@]1(C(C)(C)C)O
InChIInChI=1S/C10H20O/c1-7(2)8-6-10(8,11)9(3,4)5/h7-8,11H,6H2,1-5H3/t8-,10+/m0/s1
InChIKeyYOJVFWGQOBGGIW-WCBMZHEXSA-N
XLogP2.90
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity155

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropan-1-ol?
The IUPAC name of trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropan-1-ol (CID 101836825) is trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropan-1-ol.
What is the SMILES notation for trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropan-1-ol?
The canonical SMILES for trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropan-1-ol is CC(C)[C@@H]1C[C@@]1(C(C)(C)C)O.
What is the InChIKey of trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropan-1-ol?
The InChIKey is YOJVFWGQOBGGIW-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H20O/c1-7(2)8-6-10(8,11)9(3,4)5/h7-8,11H,6H2,1-5H3/t8-,10+/m0/s1.
What are the key properties of trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropan-1-ol?
trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropan-1-ol has a molecular weight of 156.26 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropan-1-ol is sourced from PubChem (CID 101836825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).