(4R)-6-ethyloxane-3,4-diol

C7H14O3 — CID 90277867

IUPAC(4R)-6-ethyloxane-3,4-diol
SMILESCCC1C[C@@H](O)C(O)CO1
InChIInChI=1S/C7H14O3/c1-2-5-3-6(8)7(9)4-10-5/h5-9H,2-4H2,1H3/t5?,6-,7?/m1/s1
InChIKeyOCHOJWIVQDRLEQ-YURFNIAASA-N
MW146.19 g/mol
LogP-0.09
Rot. Bonds1

About (4R)-6-ethyloxane-3,4-diol

(4R)-6-ethyloxane-3,4-diol (PubChem CID 90277867) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (4R)-6-ethyloxane-3,4-diol.

Molecular Properties

Compound Name(4R)-6-ethyloxane-3,4-diol
PubChem CID90277867
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(4R)-6-ethyloxane-3,4-diol
SMILESCCC1C[C@@H](O)C(O)CO1
InChIInChI=1S/C7H14O3/c1-2-5-3-6(8)7(9)4-10-5/h5-9H,2-4H2,1H3/t5?,6-,7?/m1/s1
InChIKeyOCHOJWIVQDRLEQ-YURFNIAASA-N
XLogP-0.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-ethyloxane-3,4-diol?
The IUPAC name of (4R)-6-ethyloxane-3,4-diol (CID 90277867) is (4R)-6-ethyloxane-3,4-diol.
What is the SMILES notation for (4R)-6-ethyloxane-3,4-diol?
The canonical SMILES for (4R)-6-ethyloxane-3,4-diol is CCC1C[C@@H](O)C(O)CO1.
What is the InChIKey of (4R)-6-ethyloxane-3,4-diol?
The InChIKey is OCHOJWIVQDRLEQ-YURFNIAASA-N. The full InChI is InChI=1S/C7H14O3/c1-2-5-3-6(8)7(9)4-10-5/h5-9H,2-4H2,1H3/t5?,6-,7?/m1/s1.
What are the key properties of (4R)-6-ethyloxane-3,4-diol?
(4R)-6-ethyloxane-3,4-diol has a molecular weight of 146.19 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-ethyloxane-3,4-diol is sourced from PubChem (CID 90277867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).