3,3-diethoxy-2-methylpropan-1-ol

C8H18O3 — CID 11789529

IUPAC3,3-diethoxy-2-methylpropan-1-ol
SMILESCCOC(OCC)C(C)CO
InChIInChI=1S/C8H18O3/c1-4-10-8(11-5-2)7(3)6-9/h7-9H,4-6H2,1-3H3
InChIKeyOELQULBKJSSMKJ-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.01
Rot. Bonds6

About 3,3-diethoxy-2-methylpropan-1-ol

3,3-diethoxy-2-methylpropan-1-ol (PubChem CID 11789529) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 3,3-diethoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name3,3-diethoxy-2-methylpropan-1-ol
PubChem CID11789529
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name3,3-diethoxy-2-methylpropan-1-ol
SMILESCCOC(OCC)C(C)CO
InChIInChI=1S/C8H18O3/c1-4-10-8(11-5-2)7(3)6-9/h7-9H,4-6H2,1-3H3
InChIKeyOELQULBKJSSMKJ-UHFFFAOYSA-N
XLogP1.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3,3-diethoxy-2-methylpropan-1-ol?
The IUPAC name of 3,3-diethoxy-2-methylpropan-1-ol (CID 11789529) is 3,3-diethoxy-2-methylpropan-1-ol.
What is the SMILES notation for 3,3-diethoxy-2-methylpropan-1-ol?
The canonical SMILES for 3,3-diethoxy-2-methylpropan-1-ol is CCOC(OCC)C(C)CO.
What is the InChIKey of 3,3-diethoxy-2-methylpropan-1-ol?
The InChIKey is OELQULBKJSSMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-4-10-8(11-5-2)7(3)6-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 3,3-diethoxy-2-methylpropan-1-ol?
3,3-diethoxy-2-methylpropan-1-ol has a molecular weight of 162.23 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-2-methylpropan-1-ol is sourced from PubChem (CID 11789529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).