(2R)-1,1-diethoxy-3-methoxypropan-2-ol

C8H18O4 — CID 14079965

IUPAC(2R)-1,1-diethoxy-3-methoxypropan-2-ol
SMILESCCOC(OCC)[C@H](O)COC
InChIInChI=1S/C8H18O4/c1-4-11-8(12-5-2)7(9)6-10-3/h7-9H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyNBNZLCUVFGPBOC-SSDOTTSWSA-N
MW178.23 g/mol
LogP0.39
Rot. Bonds7

About (2R)-1,1-diethoxy-3-methoxypropan-2-ol

(2R)-1,1-diethoxy-3-methoxypropan-2-ol (PubChem CID 14079965) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2R)-1,1-diethoxy-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1,1-diethoxy-3-methoxypropan-2-ol
PubChem CID14079965
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name(2R)-1,1-diethoxy-3-methoxypropan-2-ol
SMILESCCOC(OCC)[C@H](O)COC
InChIInChI=1S/C8H18O4/c1-4-11-8(12-5-2)7(9)6-10-3/h7-9H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyNBNZLCUVFGPBOC-SSDOTTSWSA-N
XLogP0.39
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1-diethoxy-3-methoxypropan-2-ol?
The IUPAC name of (2R)-1,1-diethoxy-3-methoxypropan-2-ol (CID 14079965) is (2R)-1,1-diethoxy-3-methoxypropan-2-ol.
What is the SMILES notation for (2R)-1,1-diethoxy-3-methoxypropan-2-ol?
The canonical SMILES for (2R)-1,1-diethoxy-3-methoxypropan-2-ol is CCOC(OCC)[C@H](O)COC.
What is the InChIKey of (2R)-1,1-diethoxy-3-methoxypropan-2-ol?
The InChIKey is NBNZLCUVFGPBOC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H18O4/c1-4-11-8(12-5-2)7(9)6-10-3/h7-9H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-1,1-diethoxy-3-methoxypropan-2-ol?
(2R)-1,1-diethoxy-3-methoxypropan-2-ol has a molecular weight of 178.23 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1-diethoxy-3-methoxypropan-2-ol is sourced from PubChem (CID 14079965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).