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

C8H18O3 — CID 18946420

IUPAC1,1-diethoxy-2-methylpropan-2-ol
SMILESCCOC(OCC)C(C)(C)O
InChIInChI=1S/C8H18O3/c1-5-10-7(11-6-2)8(3,4)9/h7,9H,5-6H2,1-4H3
InChIKeyJHAAZZWQBFPXGB-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.16
Rot. Bonds5

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

1,1-diethoxy-2-methylpropan-2-ol (PubChem CID 18946420) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1,1-diethoxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1,1-diethoxy-2-methylpropan-2-ol
PubChem CID18946420
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name1,1-diethoxy-2-methylpropan-2-ol
SMILESCCOC(OCC)C(C)(C)O
InChIInChI=1S/C8H18O3/c1-5-10-7(11-6-2)8(3,4)9/h7,9H,5-6H2,1-4H3
InChIKeyJHAAZZWQBFPXGB-UHFFFAOYSA-N
XLogP1.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.16
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 1,1-diethoxy-2-methylpropan-2-ol?
The IUPAC name of 1,1-diethoxy-2-methylpropan-2-ol (CID 18946420) is 1,1-diethoxy-2-methylpropan-2-ol.
What is the SMILES notation for 1,1-diethoxy-2-methylpropan-2-ol?
The canonical SMILES for 1,1-diethoxy-2-methylpropan-2-ol is CCOC(OCC)C(C)(C)O.
What is the InChIKey of 1,1-diethoxy-2-methylpropan-2-ol?
The InChIKey is JHAAZZWQBFPXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-5-10-7(11-6-2)8(3,4)9/h7,9H,5-6H2,1-4H3.
What are the key properties of 1,1-diethoxy-2-methylpropan-2-ol?
1,1-diethoxy-2-methylpropan-2-ol has a molecular weight of 162.23 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-2-methylpropan-2-ol is sourced from PubChem (CID 18946420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).