1-(1,1-dimethoxyethoxy)-2-methylprop-1-ene

C8H16O3 — CID 12807027

IUPAC1-(1,1-dimethoxyethoxy)-2-methylprop-1-ene
SMILESCOC(C)(OC)OC=C(C)C
InChIInChI=1S/C8H16O3/c1-7(2)6-11-8(3,9-4)10-5/h6H,1-5H3
InChIKeyAWIWBURUXPBVMW-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.89
Rot. Bonds4

About 1-(1,1-dimethoxyethoxy)-2-methylprop-1-ene

1-(1,1-dimethoxyethoxy)-2-methylprop-1-ene (PubChem CID 12807027) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-(1,1-dimethoxyethoxy)-2-methylprop-1-ene.

Molecular Properties

Compound Name1-(1,1-dimethoxyethoxy)-2-methylprop-1-ene
PubChem CID12807027
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-(1,1-dimethoxyethoxy)-2-methylprop-1-ene
SMILESCOC(C)(OC)OC=C(C)C
InChIInChI=1S/C8H16O3/c1-7(2)6-11-8(3,9-4)10-5/h6H,1-5H3
InChIKeyAWIWBURUXPBVMW-UHFFFAOYSA-N
XLogP1.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,1-dimethoxyethoxy)-2-methylprop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dimethoxyethoxy)-2-methylprop-1-ene?
The IUPAC name of 1-(1,1-dimethoxyethoxy)-2-methylprop-1-ene (CID 12807027) is 1-(1,1-dimethoxyethoxy)-2-methylprop-1-ene.
What is the SMILES notation for 1-(1,1-dimethoxyethoxy)-2-methylprop-1-ene?
The canonical SMILES for 1-(1,1-dimethoxyethoxy)-2-methylprop-1-ene is COC(C)(OC)OC=C(C)C.
What is the InChIKey of 1-(1,1-dimethoxyethoxy)-2-methylprop-1-ene?
The InChIKey is AWIWBURUXPBVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(2)6-11-8(3,9-4)10-5/h6H,1-5H3.
What are the key properties of 1-(1,1-dimethoxyethoxy)-2-methylprop-1-ene?
1-(1,1-dimethoxyethoxy)-2-methylprop-1-ene has a molecular weight of 160.21 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethoxyethoxy)-2-methylprop-1-ene is sourced from PubChem (CID 12807027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).