1,1-diethoxy-2-methylpropane

C8H18O2 — CID 519415

IUPAC1,1-diethoxy-2-methylpropane
SMILESCCOC(OCC)C(C)C
InChIInChI=1S/C8H18O2/c1-5-9-8(7(3)4)10-6-2/h7-8H,5-6H2,1-4H3
InChIKeyKZDFOVZPOBSHDH-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.04
Rot. Bonds5

About 1,1-diethoxy-2-methylpropane

1,1-diethoxy-2-methylpropane (PubChem CID 519415) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1,1-diethoxy-2-methylpropane.

Molecular Properties

Compound Name1,1-diethoxy-2-methylpropane
PubChem CID519415
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name1,1-diethoxy-2-methylpropane
SMILESCCOC(OCC)C(C)C
InChIInChI=1S/C8H18O2/c1-5-9-8(7(3)4)10-6-2/h7-8H,5-6H2,1-4H3
InChIKeyKZDFOVZPOBSHDH-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylpropane?
The IUPAC name of 1,1-diethoxy-2-methylpropane (CID 519415) is 1,1-diethoxy-2-methylpropane.
What is the SMILES notation for 1,1-diethoxy-2-methylpropane?
The canonical SMILES for 1,1-diethoxy-2-methylpropane is CCOC(OCC)C(C)C.
What is the InChIKey of 1,1-diethoxy-2-methylpropane?
The InChIKey is KZDFOVZPOBSHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-5-9-8(7(3)4)10-6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,1-diethoxy-2-methylpropane?
1,1-diethoxy-2-methylpropane has a molecular weight of 146.23 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-2-methylpropane is sourced from PubChem (CID 519415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).