trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol

C8H16O2 — CID 130874578

IUPACtrans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol
SMILESCC(C)[C@@]1(O)CCC[C@@H]1O
InChIInChI=1S/C8H16O2/c1-6(2)8(10)5-3-4-7(8)9/h6-7,9-10H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyACMXHUMXPMOAOT-YUMQZZPRSA-N
MW144.21 g/mol
LogP0.92
Rot. Bonds1

About trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol

trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol (PubChem CID 130874578) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol.

Molecular Properties

Compound Nametrans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol
PubChem CID130874578
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Nametrans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol
SMILESCC(C)[C@@]1(O)CCC[C@@H]1O
InChIInChI=1S/C8H16O2/c1-6(2)8(10)5-3-4-7(8)9/h6-7,9-10H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyACMXHUMXPMOAOT-YUMQZZPRSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentane-1,1,2-triol
CID 19830380
cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol
CID 102462779
2-methyl-1-propan-2-ylcyclohexan-1-ol
CID 19833595
3-methylidene-1-propan-2-ylcycloheptane-1,2-diol
CID 130152274
1,2-di(propan-2-yl)cyclohexane-1,4-diol
CID 174428698
1-trimethylsilylcyclopentane-1,2-diol
CID 78128825
5-(1,2-dihydroxycyclopentyl)hept-2-enoic acid
CID 67743468
cis-(1R,2R)-2-amino-2-methylcyclopentan-1-ol
CID 18659395
(4S,5R,10R)-spiro[4.5]decane-4,10-diol
CID 14934378
(4S,5R)-spiro[4.5]decane-4,10-diol
CID 135069767
(1R,4aR,7S,8aR)-1,4a-dimethyl-7-propan-2-yl-3,4,5,6,8,8a-hexahydro-2H-naphthalene-1,6,7-triol
CID 91221859
cis-(1R,3R)-3-methyl-1-propan-2-ylcyclohexan-1-ol
CID 118858373

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol?
The IUPAC name of trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol (CID 130874578) is trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol.
What is the SMILES notation for trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol?
The canonical SMILES for trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol is CC(C)[C@@]1(O)CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol?
The InChIKey is ACMXHUMXPMOAOT-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(2)8(10)5-3-4-7(8)9/h6-7,9-10H,3-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol?
trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol has a molecular weight of 144.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol is sourced from PubChem (CID 130874578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).