(2R)-2,4-diethylhex-5-ene-1,2,4-triol

C10H20O3 — CID 11469527

IUPAC(2R)-2,4-diethylhex-5-ene-1,2,4-triol
SMILESC=CC(O)(CC)C[C@](O)(CC)CO
InChIInChI=1S/C10H20O3/c1-4-9(12,5-2)7-10(13,6-3)8-11/h4,11-13H,1,5-8H2,2-3H3/t9?,10-/m1/s1
InChIKeyDUKLSUBDPPOQIF-QVDQXJPCSA-N
MW188.27 g/mol
LogP0.84
Rot. Bonds6

About (2R)-2,4-diethylhex-5-ene-1,2,4-triol

(2R)-2,4-diethylhex-5-ene-1,2,4-triol (PubChem CID 11469527) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2R)-2,4-diethylhex-5-ene-1,2,4-triol.

Molecular Properties

Compound Name(2R)-2,4-diethylhex-5-ene-1,2,4-triol
PubChem CID11469527
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2R)-2,4-diethylhex-5-ene-1,2,4-triol
SMILESC=CC(O)(CC)C[C@](O)(CC)CO
InChIInChI=1S/C10H20O3/c1-4-9(12,5-2)7-10(13,6-3)8-11/h4,11-13H,1,5-8H2,2-3H3/t9?,10-/m1/s1
InChIKeyDUKLSUBDPPOQIF-QVDQXJPCSA-N
XLogP0.84
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-diethylhex-5-ene-1,2,4-triol?
The IUPAC name of (2R)-2,4-diethylhex-5-ene-1,2,4-triol (CID 11469527) is (2R)-2,4-diethylhex-5-ene-1,2,4-triol.
What is the SMILES notation for (2R)-2,4-diethylhex-5-ene-1,2,4-triol?
The canonical SMILES for (2R)-2,4-diethylhex-5-ene-1,2,4-triol is C=CC(O)(CC)C[C@](O)(CC)CO.
What is the InChIKey of (2R)-2,4-diethylhex-5-ene-1,2,4-triol?
The InChIKey is DUKLSUBDPPOQIF-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-9(12,5-2)7-10(13,6-3)8-11/h4,11-13H,1,5-8H2,2-3H3/t9?,10-/m1/s1.
What are the key properties of (2R)-2,4-diethylhex-5-ene-1,2,4-triol?
(2R)-2,4-diethylhex-5-ene-1,2,4-triol has a molecular weight of 188.27 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-diethylhex-5-ene-1,2,4-triol is sourced from PubChem (CID 11469527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).