4-(hydroxymethyl)cyclopentane-1,3-diol

C6H12O3 — CID 57158544

IUPAC4-(hydroxymethyl)cyclopentane-1,3-diol
SMILESOCC1CC(O)CC1O
InChIInChI=1S/C6H12O3/c7-3-4-1-5(8)2-6(4)9/h4-9H,1-3H2
InChIKeyHXUPUZHHZBLALZ-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.89
Rot. Bonds1

About 4-(hydroxymethyl)cyclopentane-1,3-diol

4-(hydroxymethyl)cyclopentane-1,3-diol (PubChem CID 57158544) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 4-(hydroxymethyl)cyclopentane-1,3-diol.

Molecular Properties

Compound Name4-(hydroxymethyl)cyclopentane-1,3-diol
PubChem CID57158544
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name4-(hydroxymethyl)cyclopentane-1,3-diol
SMILESOCC1CC(O)CC1O
InChIInChI=1S/C6H12O3/c7-3-4-1-5(8)2-6(4)9/h4-9H,1-3H2
InChIKeyHXUPUZHHZBLALZ-UHFFFAOYSA-N
XLogP-0.89
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)cyclopentane-1,3-diol?
The IUPAC name of 4-(hydroxymethyl)cyclopentane-1,3-diol (CID 57158544) is 4-(hydroxymethyl)cyclopentane-1,3-diol.
What is the SMILES notation for 4-(hydroxymethyl)cyclopentane-1,3-diol?
The canonical SMILES for 4-(hydroxymethyl)cyclopentane-1,3-diol is OCC1CC(O)CC1O.
What is the InChIKey of 4-(hydroxymethyl)cyclopentane-1,3-diol?
The InChIKey is HXUPUZHHZBLALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c7-3-4-1-5(8)2-6(4)9/h4-9H,1-3H2.
What are the key properties of 4-(hydroxymethyl)cyclopentane-1,3-diol?
4-(hydroxymethyl)cyclopentane-1,3-diol has a molecular weight of 132.16 g/mol, XLogP of -0.89, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)cyclopentane-1,3-diol is sourced from PubChem (CID 57158544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).