2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene

C8H16O — CID 12962883

IUPAC2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene
SMILESC=C(C)COC(C)(C)C
InChIInChI=1S/C8H16O/c1-7(2)6-9-8(3,4)5/h1,6H2,2-5H3
InChIKeyKDSXFKGMDKSELX-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.38
Rot. Bonds2

About 2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene

2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene (PubChem CID 12962883) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene.

Molecular Properties

Compound Name2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene
PubChem CID12962883
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene
SMILESC=C(C)COC(C)(C)C
InChIInChI=1S/C8H16O/c1-7(2)6-9-8(3,4)5/h1,6H2,2-5H3
InChIKeyKDSXFKGMDKSELX-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-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 2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene?
The IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene (CID 12962883) is 2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene.
What is the SMILES notation for 2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene?
The canonical SMILES for 2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene is C=C(C)COC(C)(C)C.
What is the InChIKey of 2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene?
The InChIKey is KDSXFKGMDKSELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-7(2)6-9-8(3,4)5/h1,6H2,2-5H3.
What are the key properties of 2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene?
2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylpropan-2-yl)oxy]prop-1-ene is sourced from PubChem (CID 12962883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).