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

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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).