[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]methanol

C10H20O2 — CID 101141152

IUPAC[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]methanol
SMILESCC(C)C[C@@H]1O[C@H](CO)C1(C)C
InChIInChI=1S/C10H20O2/c1-7(2)5-8-10(3,4)9(6-11)12-8/h7-9,11H,5-6H2,1-4H3/t8-,9+/m0/s1
InChIKeyIPUKVEMVPFPZIX-DTWKUNHWSA-N
MW172.27 g/mol
LogP1.82
Rot. Bonds3

About [(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]methanol

[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]methanol (PubChem CID 101141152) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is [(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]methanol
PubChem CID101141152
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]methanol
SMILESCC(C)C[C@@H]1O[C@H](CO)C1(C)C
InChIInChI=1S/C10H20O2/c1-7(2)5-8-10(3,4)9(6-11)12-8/h7-9,11H,5-6H2,1-4H3/t8-,9+/m0/s1
InChIKeyIPUKVEMVPFPZIX-DTWKUNHWSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dimethyl-6-propan-2-yloxan-3-ol
CID 20702696
(7-Propyl-oxacycloundec-2-yl)methanol
CID 67748681
2-Tert-butyl-5-methyloxan-3-ol
CID 117829467
4-[3-Ethyl-2-(hydroxymethyl)oxetan-3-yl]butan-1-ol
CID 139534748
1-(3-Methyloxetan-2-yl)octan-3-ol
CID 139768436
5-(3-Ethyloxetan-3-yl)pentane-1,4-diol
CID 153997662
2-Methyl-6-nonan-3-yloxan-3-ol
CID 169957589
((4S,6R)-6-(tert-butyl)-1-oxaspiro[3.5]nonan-2-yl)methanol
CID 132274628
((4r,7r)-7-(Tert-butyl)-1-oxaspiro[3.5]nonan-2-yl)methanol
CID 132274642
1-Ethoxy-3,7-dimethyloctan-2-ol
CID 139596607
(2R,3R,5R,6S)-2,5-dimethyl-6-propan-2-yloxan-3-ol
CID 77423942
[(2R,4R)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol
CID 101141151

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]methanol?
The IUPAC name of [(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]methanol (CID 101141152) is [(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]methanol?
The canonical SMILES for [(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]methanol is CC(C)C[C@@H]1O[C@H](CO)C1(C)C.
What is the InChIKey of [(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]methanol?
The InChIKey is IPUKVEMVPFPZIX-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)5-8-10(3,4)9(6-11)12-8/h7-9,11H,5-6H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of [(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]methanol?
[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]methanol has a molecular weight of 172.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]methanol is sourced from PubChem (CID 101141152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).