3-propylcyclopentane-1,2-diol

C8H16O2 — CID 57112328

IUPAC3-propylcyclopentane-1,2-diol
SMILESCCCC1CCC(O)C1O
InChIInChI=1S/C8H16O2/c1-2-3-6-4-5-7(9)8(6)10/h6-10H,2-5H2,1H3
InChIKeyLLLWWLSTPYXVFG-UHFFFAOYSA-N
MW144.21 g/mol
LogP0.92
Rot. Bonds2

About 3-propylcyclopentane-1,2-diol

3-propylcyclopentane-1,2-diol (PubChem CID 57112328) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-propylcyclopentane-1,2-diol.

Molecular Properties

Compound Name3-propylcyclopentane-1,2-diol
PubChem CID57112328
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-propylcyclopentane-1,2-diol
SMILESCCCC1CCC(O)C1O
InChIInChI=1S/C8H16O2/c1-2-3-6-4-5-7(9)8(6)10/h6-10H,2-5H2,1H3
InChIKeyLLLWWLSTPYXVFG-UHFFFAOYSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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 3-propylcyclopentane-1,2-diol?
The IUPAC name of 3-propylcyclopentane-1,2-diol (CID 57112328) is 3-propylcyclopentane-1,2-diol.
What is the SMILES notation for 3-propylcyclopentane-1,2-diol?
The canonical SMILES for 3-propylcyclopentane-1,2-diol is CCCC1CCC(O)C1O.
What is the InChIKey of 3-propylcyclopentane-1,2-diol?
The InChIKey is LLLWWLSTPYXVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-3-6-4-5-7(9)8(6)10/h6-10H,2-5H2,1H3.
What are the key properties of 3-propylcyclopentane-1,2-diol?
3-propylcyclopentane-1,2-diol has a molecular weight of 144.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylcyclopentane-1,2-diol is sourced from PubChem (CID 57112328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).