3,3-diethoxy-2-methylprop-1-ene

C8H16O2 — CID 11194409

IUPAC3,3-diethoxy-2-methylprop-1-ene
SMILESC=C(C)C(OCC)OCC
InChIInChI=1S/C8H16O2/c1-5-9-8(7(3)4)10-6-2/h8H,3,5-6H2,1-2,4H3
InChIKeyXYJXZLHRRNRNHF-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.96
Rot. Bonds5

About 3,3-diethoxy-2-methylprop-1-ene

3,3-diethoxy-2-methylprop-1-ene (PubChem CID 11194409) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3,3-diethoxy-2-methylprop-1-ene.

Molecular Properties

Compound Name3,3-diethoxy-2-methylprop-1-ene
PubChem CID11194409
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3,3-diethoxy-2-methylprop-1-ene
SMILESC=C(C)C(OCC)OCC
InChIInChI=1S/C8H16O2/c1-5-9-8(7(3)4)10-6-2/h8H,3,5-6H2,1-2,4H3
InChIKeyXYJXZLHRRNRNHF-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxy-2-methylprop-1-ene?
The IUPAC name of 3,3-diethoxy-2-methylprop-1-ene (CID 11194409) is 3,3-diethoxy-2-methylprop-1-ene.
What is the SMILES notation for 3,3-diethoxy-2-methylprop-1-ene?
The canonical SMILES for 3,3-diethoxy-2-methylprop-1-ene is C=C(C)C(OCC)OCC.
What is the InChIKey of 3,3-diethoxy-2-methylprop-1-ene?
The InChIKey is XYJXZLHRRNRNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-9-8(7(3)4)10-6-2/h8H,3,5-6H2,1-2,4H3.
What are the key properties of 3,3-diethoxy-2-methylprop-1-ene?
3,3-diethoxy-2-methylprop-1-ene has a molecular weight of 144.21 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-2-methylprop-1-ene is sourced from PubChem (CID 11194409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).