[(2S,4S)-2-(hydroxymethyl)-4-methyloxetan-3-yl]methanol

C6H12O3 — CID 134969713

IUPAC[(2S,4S)-2-(hydroxymethyl)-4-methyloxetan-3-yl]methanol
SMILESC[C@@H]1O[C@H](CO)C1CO
InChIInChI=1S/C6H12O3/c1-4-5(2-7)6(3-8)9-4/h4-8H,2-3H2,1H3/t4-,5?,6+/m0/s1
InChIKeyVJPPCXSOXBVDKY-NOWQFEBASA-N
MW132.16 g/mol
LogP-0.63
Rot. Bonds2

About [(2S,4S)-2-(hydroxymethyl)-4-methyloxetan-3-yl]methanol

[(2S,4S)-2-(hydroxymethyl)-4-methyloxetan-3-yl]methanol (PubChem CID 134969713) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is [(2S,4S)-2-(hydroxymethyl)-4-methyloxetan-3-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-2-(hydroxymethyl)-4-methyloxetan-3-yl]methanol
PubChem CID134969713
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name[(2S,4S)-2-(hydroxymethyl)-4-methyloxetan-3-yl]methanol
SMILESC[C@@H]1O[C@H](CO)C1CO
InChIInChI=1S/C6H12O3/c1-4-5(2-7)6(3-8)9-4/h4-8H,2-3H2,1H3/t4-,5?,6+/m0/s1
InChIKeyVJPPCXSOXBVDKY-NOWQFEBASA-N
XLogP-0.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-(hydroxymethyl)-4-methyloxetan-3-yl]methanol?
The IUPAC name of [(2S,4S)-2-(hydroxymethyl)-4-methyloxetan-3-yl]methanol (CID 134969713) is [(2S,4S)-2-(hydroxymethyl)-4-methyloxetan-3-yl]methanol.
What is the SMILES notation for [(2S,4S)-2-(hydroxymethyl)-4-methyloxetan-3-yl]methanol?
The canonical SMILES for [(2S,4S)-2-(hydroxymethyl)-4-methyloxetan-3-yl]methanol is C[C@@H]1O[C@H](CO)C1CO.
What is the InChIKey of [(2S,4S)-2-(hydroxymethyl)-4-methyloxetan-3-yl]methanol?
The InChIKey is VJPPCXSOXBVDKY-NOWQFEBASA-N. The full InChI is InChI=1S/C6H12O3/c1-4-5(2-7)6(3-8)9-4/h4-8H,2-3H2,1H3/t4-,5?,6+/m0/s1.
What are the key properties of [(2S,4S)-2-(hydroxymethyl)-4-methyloxetan-3-yl]methanol?
[(2S,4S)-2-(hydroxymethyl)-4-methyloxetan-3-yl]methanol has a molecular weight of 132.16 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-(hydroxymethyl)-4-methyloxetan-3-yl]methanol is sourced from PubChem (CID 134969713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).