cis-(1S,2R)-4-propylcyclopentane-1,2-diol

C8H16O2 — CID 52916274

IUPACcis-(1S,2R)-4-propylcyclopentane-1,2-diol
SMILESCCCC1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C8H16O2/c1-2-3-6-4-7(9)8(10)5-6/h6-10H,2-5H2,1H3/t6?,7-,8+
InChIKeyMPZCNPVCHBVCCW-IEESLHIDSA-N
MW144.21 g/mol
LogP0.92
Rot. Bonds2

About cis-(1S,2R)-4-propylcyclopentane-1,2-diol

cis-(1S,2R)-4-propylcyclopentane-1,2-diol (PubChem CID 52916274) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is cis-(1S,2R)-4-propylcyclopentane-1,2-diol.

Molecular Properties

Compound Namecis-(1S,2R)-4-propylcyclopentane-1,2-diol
PubChem CID52916274
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Namecis-(1S,2R)-4-propylcyclopentane-1,2-diol
SMILESCCCC1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C8H16O2/c1-2-3-6-4-7(9)8(10)5-6/h6-10H,2-5H2,1H3/t6?,7-,8+
InChIKeyMPZCNPVCHBVCCW-IEESLHIDSA-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 cis-(1S,2R)-4-propylcyclopentane-1,2-diol?
The IUPAC name of cis-(1S,2R)-4-propylcyclopentane-1,2-diol (CID 52916274) is cis-(1S,2R)-4-propylcyclopentane-1,2-diol.
What is the SMILES notation for cis-(1S,2R)-4-propylcyclopentane-1,2-diol?
The canonical SMILES for cis-(1S,2R)-4-propylcyclopentane-1,2-diol is CCCC1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of cis-(1S,2R)-4-propylcyclopentane-1,2-diol?
The InChIKey is MPZCNPVCHBVCCW-IEESLHIDSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-3-6-4-7(9)8(10)5-6/h6-10H,2-5H2,1H3/t6?,7-,8+.
What are the key properties of cis-(1S,2R)-4-propylcyclopentane-1,2-diol?
cis-(1S,2R)-4-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 cis-(1S,2R)-4-propylcyclopentane-1,2-diol is sourced from PubChem (CID 52916274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).