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

C8H16O2 — CID 15496898

IUPAC[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol
SMILESCC[C@@H]1O[C@H](CO)C1(C)C
InChIInChI=1S/C8H16O2/c1-4-6-8(2,3)7(5-9)10-6/h6-7,9H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyZCCZLXVFUZJRIQ-NKWVEPMBSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds2

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

[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol (PubChem CID 15496898) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is [(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol
PubChem CID15496898
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol
SMILESCC[C@@H]1O[C@H](CO)C1(C)C
InChIInChI=1S/C8H16O2/c1-4-6-8(2,3)7(5-9)10-6/h6-7,9H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyZCCZLXVFUZJRIQ-NKWVEPMBSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3R)-3-ethyl-2,2-dimethyloxirane
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[(2S,3S)-3-methyl-3-propyloxiran-2-yl]methanol
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actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
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[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
[3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
CID 14320848
disodium;[4-hydroxy-6-(hydroxymethyl)-3,3,5,5-tetramethyloxan-2-yl] phosphate
CID 20706015
[(2R)-3,3-dimethylmorpholin-2-yl]methanol
CID 129408060
4-ethyl-2,2,3,3-tetramethyloxetane
CID 58640685
(5R,6R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane
CID 122599335
(5R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane
CID 122599337

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol (CID 15496898) is [(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol is CC[C@@H]1O[C@H](CO)C1(C)C.
What is the InChIKey of [(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol?
The InChIKey is ZCCZLXVFUZJRIQ-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-6-8(2,3)7(5-9)10-6/h6-7,9H,4-5H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of [(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol?
[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]methanol is sourced from PubChem (CID 15496898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).