1,1,1,3-tetraethoxypropan-2-ol

C11H24O5 — CID 87463789

IUPAC1,1,1,3-tetraethoxypropan-2-ol
SMILESCCOCC(O)C(OCC)(OCC)OCC
InChIInChI=1S/C11H24O5/c1-5-13-9-10(12)11(14-6-2,15-7-3)16-8-4/h10,12H,5-9H2,1-4H3
InChIKeyQVIAQIGSPWEMKU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.15
Rot. Bonds10

About 1,1,1,3-tetraethoxypropan-2-ol

1,1,1,3-tetraethoxypropan-2-ol (PubChem CID 87463789) has the molecular formula C11H24O5 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1,1,1,3-tetraethoxypropan-2-ol.

Molecular Properties

Compound Name1,1,1,3-tetraethoxypropan-2-ol
PubChem CID87463789
Molecular FormulaC11H24O5
Molecular Weight236.31 g/mol
Exact Mass236.16
IUPAC Name1,1,1,3-tetraethoxypropan-2-ol
SMILESCCOCC(O)C(OCC)(OCC)OCC
InChIInChI=1S/C11H24O5/c1-5-13-9-10(12)11(14-6-2,15-7-3)16-8-4/h10,12H,5-9H2,1-4H3
InChIKeyQVIAQIGSPWEMKU-UHFFFAOYSA-N
XLogP1.15
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1,1,1,3-tetraethoxypropan-2-ol?
The IUPAC name of 1,1,1,3-tetraethoxypropan-2-ol (CID 87463789) is 1,1,1,3-tetraethoxypropan-2-ol.
What is the SMILES notation for 1,1,1,3-tetraethoxypropan-2-ol?
The canonical SMILES for 1,1,1,3-tetraethoxypropan-2-ol is CCOCC(O)C(OCC)(OCC)OCC.
What is the InChIKey of 1,1,1,3-tetraethoxypropan-2-ol?
The InChIKey is QVIAQIGSPWEMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O5/c1-5-13-9-10(12)11(14-6-2,15-7-3)16-8-4/h10,12H,5-9H2,1-4H3.
What are the key properties of 1,1,1,3-tetraethoxypropan-2-ol?
1,1,1,3-tetraethoxypropan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 1.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetraethoxypropan-2-ol is sourced from PubChem (CID 87463789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).