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

C7H14O2 — CID 15496896

IUPAC[(2S,4S)-3,3,4-trimethyloxetan-2-yl]methanol
SMILESC[C@@H]1O[C@H](CO)C1(C)C
InChIInChI=1S/C7H14O2/c1-5-7(2,3)6(4-8)9-5/h5-6,8H,4H2,1-3H3/t5-,6+/m0/s1
InChIKeySAHZPIUUUWRYDL-NTSWFWBYSA-N
MW130.19 g/mol
LogP0.79
Rot. Bonds1

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

[(2S,4S)-3,3,4-trimethyloxetan-2-yl]methanol (PubChem CID 15496896) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is [(2S,4S)-3,3,4-trimethyloxetan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-3,3,4-trimethyloxetan-2-yl]methanol
PubChem CID15496896
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name[(2S,4S)-3,3,4-trimethyloxetan-2-yl]methanol
SMILESC[C@@H]1O[C@H](CO)C1(C)C
InChIInChI=1S/C7H14O2/c1-5-7(2,3)6(4-8)9-5/h5-6,8H,4H2,1-3H3/t5-,6+/m0/s1
InChIKeySAHZPIUUUWRYDL-NTSWFWBYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-3,3,4-trimethyloxetan-2-yl]methanol?
The IUPAC name of [(2S,4S)-3,3,4-trimethyloxetan-2-yl]methanol (CID 15496896) is [(2S,4S)-3,3,4-trimethyloxetan-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-3,3,4-trimethyloxetan-2-yl]methanol?
The canonical SMILES for [(2S,4S)-3,3,4-trimethyloxetan-2-yl]methanol is C[C@@H]1O[C@H](CO)C1(C)C.
What is the InChIKey of [(2S,4S)-3,3,4-trimethyloxetan-2-yl]methanol?
The InChIKey is SAHZPIUUUWRYDL-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H14O2/c1-5-7(2,3)6(4-8)9-5/h5-6,8H,4H2,1-3H3/t5-,6+/m0/s1.
What are the key properties of [(2S,4S)-3,3,4-trimethyloxetan-2-yl]methanol?
[(2S,4S)-3,3,4-trimethyloxetan-2-yl]methanol has a molecular weight of 130.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-3,3,4-trimethyloxetan-2-yl]methanol is sourced from PubChem (CID 15496896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).