trans-(1R,2S)-2-tert-butylcyclopropan-1-ol

C7H14O — CID 162418465

IUPACtrans-(1R,2S)-2-tert-butylcyclopropan-1-ol
SMILESCC(C)(C)[C@@H]1C[C@H]1O
InChIInChI=1S/C7H14O/c1-7(2,3)5-4-6(5)8/h5-6,8H,4H2,1-3H3/t5-,6-/m1/s1
InChIKeyBSTIBYLXBXMLAX-PHDIDXHHSA-N
MW114.19 g/mol
LogP1.41
Rot. Bonds

About trans-(1R,2S)-2-tert-butylcyclopropan-1-ol

trans-(1R,2S)-2-tert-butylcyclopropan-1-ol (PubChem CID 162418465) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is trans-(1R,2S)-2-tert-butylcyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-tert-butylcyclopropan-1-ol
PubChem CID162418465
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Nametrans-(1R,2S)-2-tert-butylcyclopropan-1-ol
SMILESCC(C)(C)[C@@H]1C[C@H]1O
InChIInChI=1S/C7H14O/c1-7(2,3)5-4-6(5)8/h5-6,8H,4H2,1-3H3/t5-,6-/m1/s1
InChIKeyBSTIBYLXBXMLAX-PHDIDXHHSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze trans-(1R,2S)-2-tert-butylcyclopropan-1-ol 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 trans-(1R,2S)-2-tert-butylcyclopropan-1-ol?
The IUPAC name of trans-(1R,2S)-2-tert-butylcyclopropan-1-ol (CID 162418465) is trans-(1R,2S)-2-tert-butylcyclopropan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-tert-butylcyclopropan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-tert-butylcyclopropan-1-ol is CC(C)(C)[C@@H]1C[C@H]1O.
What is the InChIKey of trans-(1R,2S)-2-tert-butylcyclopropan-1-ol?
The InChIKey is BSTIBYLXBXMLAX-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H14O/c1-7(2,3)5-4-6(5)8/h5-6,8H,4H2,1-3H3/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2S)-2-tert-butylcyclopropan-1-ol?
trans-(1R,2S)-2-tert-butylcyclopropan-1-ol has a molecular weight of 114.19 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-tert-butylcyclopropan-1-ol is sourced from PubChem (CID 162418465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).