1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol

C8H16O2 — CID 101141164

IUPAC1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol
SMILESCC(O)[C@H]1O[C@@H](C)C1(C)C
InChIInChI=1S/C8H16O2/c1-5(9)7-8(3,4)6(2)10-7/h5-7,9H,1-4H3/t5?,6-,7+/m0/s1
InChIKeyGUDQVFZHNYSHBF-BOJSHJERSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds1

About 1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol

1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol (PubChem CID 101141164) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol
PubChem CID101141164
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol
SMILESCC(O)[C@H]1O[C@@H](C)C1(C)C
InChIInChI=1S/C8H16O2/c1-5(9)7-8(3,4)6(2)10-7/h5-7,9H,1-4H3/t5?,6-,7+/m0/s1
InChIKeyGUDQVFZHNYSHBF-BOJSHJERSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol?
The IUPAC name of 1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol (CID 101141164) is 1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol.
What is the SMILES notation for 1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol?
The canonical SMILES for 1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol is CC(O)[C@H]1O[C@@H](C)C1(C)C.
What is the InChIKey of 1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol?
The InChIKey is GUDQVFZHNYSHBF-BOJSHJERSA-N. The full InChI is InChI=1S/C8H16O2/c1-5(9)7-8(3,4)6(2)10-7/h5-7,9H,1-4H3/t5?,6-,7+/m0/s1.
What are the key properties of 1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol?
1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-3,3,4-trimethyloxetan-2-yl]ethanol is sourced from PubChem (CID 101141164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).