[2,3-bis(hydroxymethyl)cyclopropyl]methanol

C6H12O3 — CID 18762355

IUPAC[2,3-bis(hydroxymethyl)cyclopropyl]methanol
SMILESOCC1C(CO)C1CO
InChIInChI=1S/C6H12O3/c7-1-4-5(2-8)6(4)3-9/h4-9H,1-3H2
InChIKeyQTWWLLXOSUKTQH-UHFFFAOYSA-N
MW132.16 g/mol
LogP-1.17
Rot. Bonds3

About [2,3-bis(hydroxymethyl)cyclopropyl]methanol

[2,3-bis(hydroxymethyl)cyclopropyl]methanol (PubChem CID 18762355) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is [2,3-bis(hydroxymethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2,3-bis(hydroxymethyl)cyclopropyl]methanol
PubChem CID18762355
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name[2,3-bis(hydroxymethyl)cyclopropyl]methanol
SMILESOCC1C(CO)C1CO
InChIInChI=1S/C6H12O3/c7-1-4-5(2-8)6(4)3-9/h4-9H,1-3H2
InChIKeyQTWWLLXOSUKTQH-UHFFFAOYSA-N
XLogP-1.17
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,3-bis(hydroxymethyl)cyclopropyl]methanol?
The IUPAC name of [2,3-bis(hydroxymethyl)cyclopropyl]methanol (CID 18762355) is [2,3-bis(hydroxymethyl)cyclopropyl]methanol.
What is the SMILES notation for [2,3-bis(hydroxymethyl)cyclopropyl]methanol?
The canonical SMILES for [2,3-bis(hydroxymethyl)cyclopropyl]methanol is OCC1C(CO)C1CO.
What is the InChIKey of [2,3-bis(hydroxymethyl)cyclopropyl]methanol?
The InChIKey is QTWWLLXOSUKTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c7-1-4-5(2-8)6(4)3-9/h4-9H,1-3H2.
What are the key properties of [2,3-bis(hydroxymethyl)cyclopropyl]methanol?
[2,3-bis(hydroxymethyl)cyclopropyl]methanol has a molecular weight of 132.16 g/mol, XLogP of -1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(hydroxymethyl)cyclopropyl]methanol is sourced from PubChem (CID 18762355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).