1,1-dimethoxy-3-methylbut-2-ene

C7H14O2 — CID 11040731

IUPAC1,1-dimethoxy-3-methylbut-2-ene
SMILESCOC(C=C(C)C)OC
InChIInChI=1S/C7H14O2/c1-6(2)5-7(8-3)9-4/h5,7H,1-4H3
InChIKeyXVOCYIHGQROGNT-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.57
Rot. Bonds3

About 1,1-dimethoxy-3-methylbut-2-ene

1,1-dimethoxy-3-methylbut-2-ene (PubChem CID 11040731) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1,1-dimethoxy-3-methylbut-2-ene.

Molecular Properties

Compound Name1,1-dimethoxy-3-methylbut-2-ene
PubChem CID11040731
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name1,1-dimethoxy-3-methylbut-2-ene
SMILESCOC(C=C(C)C)OC
InChIInChI=1S/C7H14O2/c1-6(2)5-7(8-3)9-4/h5,7H,1-4H3
InChIKeyXVOCYIHGQROGNT-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.57
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 1,1-dimethoxy-3-methylbut-2-ene?
The IUPAC name of 1,1-dimethoxy-3-methylbut-2-ene (CID 11040731) is 1,1-dimethoxy-3-methylbut-2-ene.
What is the SMILES notation for 1,1-dimethoxy-3-methylbut-2-ene?
The canonical SMILES for 1,1-dimethoxy-3-methylbut-2-ene is COC(C=C(C)C)OC.
What is the InChIKey of 1,1-dimethoxy-3-methylbut-2-ene?
The InChIKey is XVOCYIHGQROGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-6(2)5-7(8-3)9-4/h5,7H,1-4H3.
What are the key properties of 1,1-dimethoxy-3-methylbut-2-ene?
1,1-dimethoxy-3-methylbut-2-ene has a molecular weight of 130.19 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-3-methylbut-2-ene is sourced from PubChem (CID 11040731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).