(3S)-4-ethyloxolan-3-ol

C6H12O2 — CID 147211957

IUPAC(3S)-4-ethyloxolan-3-ol
SMILESCCC1COC[C@H]1O
InChIInChI=1S/C6H12O2/c1-2-5-3-8-4-6(5)7/h5-7H,2-4H2,1H3/t5?,6-/m1/s1
InChIKeyCFJITMLRVAVNJX-PRJDIBJQSA-N
MW116.16 g/mol
LogP0.40
Rot. Bonds1

About (3S)-4-ethyloxolan-3-ol

(3S)-4-ethyloxolan-3-ol (PubChem CID 147211957) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (3S)-4-ethyloxolan-3-ol.

Molecular Properties

Compound Name(3S)-4-ethyloxolan-3-ol
PubChem CID147211957
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(3S)-4-ethyloxolan-3-ol
SMILESCCC1COC[C@H]1O
InChIInChI=1S/C6H12O2/c1-2-5-3-8-4-6(5)7/h5-7H,2-4H2,1H3/t5?,6-/m1/s1
InChIKeyCFJITMLRVAVNJX-PRJDIBJQSA-N
XLogP0.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-ethyloxolan-3-ol?
The IUPAC name of (3S)-4-ethyloxolan-3-ol (CID 147211957) is (3S)-4-ethyloxolan-3-ol.
What is the SMILES notation for (3S)-4-ethyloxolan-3-ol?
The canonical SMILES for (3S)-4-ethyloxolan-3-ol is CCC1COC[C@H]1O.
What is the InChIKey of (3S)-4-ethyloxolan-3-ol?
The InChIKey is CFJITMLRVAVNJX-PRJDIBJQSA-N. The full InChI is InChI=1S/C6H12O2/c1-2-5-3-8-4-6(5)7/h5-7H,2-4H2,1H3/t5?,6-/m1/s1.
What are the key properties of (3S)-4-ethyloxolan-3-ol?
(3S)-4-ethyloxolan-3-ol has a molecular weight of 116.16 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethyloxolan-3-ol is sourced from PubChem (CID 147211957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).