cis-(1R,4R)-4-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutan-1-ol

C9H18O2 — CID 139195285

IUPACcis-(1R,4R)-4-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutan-1-ol
SMILESC[C@@H](CO)[C@H]1CC(C)(C)[C@@H]1O
InChIInChI=1S/C9H18O2/c1-6(5-10)7-4-9(2,3)8(7)11/h6-8,10-11H,4-5H2,1-3H3/t6-,7+,8+/m0/s1
InChIKeyMBYJWJZVDWDXGF-XLPZGREQSA-N
MW158.24 g/mol
LogP1.02
Rot. Bonds2

About cis-(1R,4R)-4-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutan-1-ol

cis-(1R,4R)-4-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutan-1-ol (PubChem CID 139195285) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is cis-(1R,4R)-4-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Namecis-(1R,4R)-4-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutan-1-ol
PubChem CID139195285
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Namecis-(1R,4R)-4-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutan-1-ol
SMILESC[C@@H](CO)[C@H]1CC(C)(C)[C@@H]1O
InChIInChI=1S/C9H18O2/c1-6(5-10)7-4-9(2,3)8(7)11/h6-8,10-11H,4-5H2,1-3H3/t6-,7+,8+/m0/s1
InChIKeyMBYJWJZVDWDXGF-XLPZGREQSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,4R)-4-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutan-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 cis-(1R,4R)-4-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of cis-(1R,4R)-4-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutan-1-ol (CID 139195285) is cis-(1R,4R)-4-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for cis-(1R,4R)-4-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for cis-(1R,4R)-4-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutan-1-ol is C[C@@H](CO)[C@H]1CC(C)(C)[C@@H]1O.
What is the InChIKey of cis-(1R,4R)-4-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is MBYJWJZVDWDXGF-XLPZGREQSA-N. The full InChI is InChI=1S/C9H18O2/c1-6(5-10)7-4-9(2,3)8(7)11/h6-8,10-11H,4-5H2,1-3H3/t6-,7+,8+/m0/s1.
What are the key properties of cis-(1R,4R)-4-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutan-1-ol?
cis-(1R,4R)-4-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,4R)-4-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 139195285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).