cyclopentane-1,1,2-triol

C5H10O3 — CID 19830380

IUPACcyclopentane-1,1,2-triol
SMILESOC1CCCC1(O)O
InChIInChI=1S/C5H10O3/c6-4-2-1-3-5(4,7)8/h4,6-8H,1-3H2
InChIKeyYDDDVHGKEGJQHG-UHFFFAOYSA-N
MW118.13 g/mol
LogP-0.79
Rot. Bonds

About cyclopentane-1,1,2-triol

cyclopentane-1,1,2-triol (PubChem CID 19830380) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is cyclopentane-1,1,2-triol.

Molecular Properties

Compound Namecyclopentane-1,1,2-triol
PubChem CID19830380
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Namecyclopentane-1,1,2-triol
SMILESOC1CCCC1(O)O
InChIInChI=1S/C5H10O3/c6-4-2-1-3-5(4,7)8/h4,6-8H,1-3H2
InChIKeyYDDDVHGKEGJQHG-UHFFFAOYSA-N
XLogP-0.79
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentane-1,1,2-triol?
The IUPAC name of cyclopentane-1,1,2-triol (CID 19830380) is cyclopentane-1,1,2-triol.
What is the SMILES notation for cyclopentane-1,1,2-triol?
The canonical SMILES for cyclopentane-1,1,2-triol is OC1CCCC1(O)O.
What is the InChIKey of cyclopentane-1,1,2-triol?
The InChIKey is YDDDVHGKEGJQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c6-4-2-1-3-5(4,7)8/h4,6-8H,1-3H2.
What are the key properties of cyclopentane-1,1,2-triol?
cyclopentane-1,1,2-triol has a molecular weight of 118.13 g/mol, XLogP of -0.79, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane-1,1,2-triol is sourced from PubChem (CID 19830380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).