1-[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]ethanol

C11H22O2 — CID 101141158

IUPAC1-[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]ethanol
SMILESCC(C)C[C@@H]1O[C@H](C(C)O)C1(C)C
InChIInChI=1S/C11H22O2/c1-7(2)6-9-11(4,5)10(13-9)8(3)12/h7-10,12H,6H2,1-5H3/t8?,9-,10+/m0/s1
InChIKeyAZVYKRCEPPLGTP-CBMCFHRWSA-N
MW186.29 g/mol
LogP2.21
Rot. Bonds3

About 1-[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]ethanol

1-[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]ethanol (PubChem CID 101141158) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]ethanol
PubChem CID101141158
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1-[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]ethanol
SMILESCC(C)C[C@@H]1O[C@H](C(C)O)C1(C)C
InChIInChI=1S/C11H22O2/c1-7(2)6-9-11(4,5)10(13-9)8(3)12/h7-10,12H,6H2,1-5H3/t8?,9-,10+/m0/s1
InChIKeyAZVYKRCEPPLGTP-CBMCFHRWSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Poly(oxy-1,2-ethanediyl), alpha-(3,5-dimethyl-1-(2-methylpropyl)hexyl)-omega-hydroxy-
CID 24982
3-[[5,7,7-Trimethyl-2-(1,3,3-trimethylbutyl)octyl]oxy]-1,2-propanediol
CID 54162131
(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol
CID 59065124
(2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol
CID 59065137
(2S,3R,4R,5R,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol
CID 59065163
1-(3-Tert-butylcyclohexyloxy)-2-butanol
CID 19774064
2,4-Dimethyl-6-propan-2-yloxan-3-ol
CID 20702696
1-Cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol
CID 22013985
1-[(1-Propylcyclohexyl)methoxy]pentan-2-ol
CID 57217984
(7-Propyl-oxacycloundec-2-yl)methanol
CID 67748681
2-Tert-butyl-5-methyloxan-3-ol
CID 117829467
7-Methyloxecan-3-ol
CID 123173412

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]ethanol?
The IUPAC name of 1-[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]ethanol (CID 101141158) is 1-[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]ethanol.
What is the SMILES notation for 1-[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]ethanol?
The canonical SMILES for 1-[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]ethanol is CC(C)C[C@@H]1O[C@H](C(C)O)C1(C)C.
What is the InChIKey of 1-[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]ethanol?
The InChIKey is AZVYKRCEPPLGTP-CBMCFHRWSA-N. The full InChI is InChI=1S/C11H22O2/c1-7(2)6-9-11(4,5)10(13-9)8(3)12/h7-10,12H,6H2,1-5H3/t8?,9-,10+/m0/s1.
What are the key properties of 1-[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]ethanol?
1-[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]ethanol has a molecular weight of 186.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-3,3-dimethyl-4-(2-methylpropyl)oxetan-2-yl]ethanol is sourced from PubChem (CID 101141158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).