(4S,5S)-5-ethyl-4-methyloxolan-2-ol

C7H14O2 — CID 59992917

IUPAC(4S,5S)-5-ethyl-4-methyloxolan-2-ol
SMILESCC[C@@H]1OC(O)C[C@@H]1C
InChIInChI=1S/C7H14O2/c1-3-6-5(2)4-7(8)9-6/h5-8H,3-4H2,1-2H3/t5-,6-,7?/m0/s1
InChIKeyZCNNPVPRKATKNJ-WABBHOIFSA-N
MW130.19 g/mol
LogP1.14
Rot. Bonds1

About (4S,5S)-5-ethyl-4-methyloxolan-2-ol

(4S,5S)-5-ethyl-4-methyloxolan-2-ol (PubChem CID 59992917) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (4S,5S)-5-ethyl-4-methyloxolan-2-ol.

Molecular Properties

Compound Name(4S,5S)-5-ethyl-4-methyloxolan-2-ol
PubChem CID59992917
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(4S,5S)-5-ethyl-4-methyloxolan-2-ol
SMILESCC[C@@H]1OC(O)C[C@@H]1C
InChIInChI=1S/C7H14O2/c1-3-6-5(2)4-7(8)9-6/h5-8H,3-4H2,1-2H3/t5-,6-,7?/m0/s1
InChIKeyZCNNPVPRKATKNJ-WABBHOIFSA-N
XLogP1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-ethyl-4-methyloxolan-2-ol?
The IUPAC name of (4S,5S)-5-ethyl-4-methyloxolan-2-ol (CID 59992917) is (4S,5S)-5-ethyl-4-methyloxolan-2-ol.
What is the SMILES notation for (4S,5S)-5-ethyl-4-methyloxolan-2-ol?
The canonical SMILES for (4S,5S)-5-ethyl-4-methyloxolan-2-ol is CC[C@@H]1OC(O)C[C@@H]1C.
What is the InChIKey of (4S,5S)-5-ethyl-4-methyloxolan-2-ol?
The InChIKey is ZCNNPVPRKATKNJ-WABBHOIFSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-6-5(2)4-7(8)9-6/h5-8H,3-4H2,1-2H3/t5-,6-,7?/m0/s1.
What are the key properties of (4S,5S)-5-ethyl-4-methyloxolan-2-ol?
(4S,5S)-5-ethyl-4-methyloxolan-2-ol has a molecular weight of 130.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-ethyl-4-methyloxolan-2-ol is sourced from PubChem (CID 59992917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).