cis-(1S,2S)-2-propan-2-ylcyclopentan-1-ol

C8H16O — CID 59459383

IUPACcis-(1S,2S)-2-propan-2-ylcyclopentan-1-ol
SMILESCC(C)[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C8H16O/c1-6(2)7-4-3-5-8(7)9/h6-9H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyUNGWJJDVLCVVGB-YUMQZZPRSA-N
MW128.21 g/mol
LogP1.80
Rot. Bonds1

About cis-(1S,2S)-2-propan-2-ylcyclopentan-1-ol

cis-(1S,2S)-2-propan-2-ylcyclopentan-1-ol (PubChem CID 59459383) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is cis-(1S,2S)-2-propan-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-propan-2-ylcyclopentan-1-ol
PubChem CID59459383
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Namecis-(1S,2S)-2-propan-2-ylcyclopentan-1-ol
SMILESCC(C)[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C8H16O/c1-6(2)7-4-3-5-8(7)9/h6-9H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyUNGWJJDVLCVVGB-YUMQZZPRSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze cis-(1S,2S)-2-propan-2-ylcyclopentan-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-(1S,2S)-2-propan-2-ylcyclopentan-1-ol?
The IUPAC name of cis-(1S,2S)-2-propan-2-ylcyclopentan-1-ol (CID 59459383) is cis-(1S,2S)-2-propan-2-ylcyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-propan-2-ylcyclopentan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-propan-2-ylcyclopentan-1-ol is CC(C)[C@@H]1CCC[C@@H]1O.
What is the InChIKey of cis-(1S,2S)-2-propan-2-ylcyclopentan-1-ol?
The InChIKey is UNGWJJDVLCVVGB-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16O/c1-6(2)7-4-3-5-8(7)9/h6-9H,3-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of cis-(1S,2S)-2-propan-2-ylcyclopentan-1-ol?
cis-(1S,2S)-2-propan-2-ylcyclopentan-1-ol has a molecular weight of 128.21 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-propan-2-ylcyclopentan-1-ol is sourced from PubChem (CID 59459383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).