(E)-1,3-dimethoxy-2-methylprop-1-ene

C6H12O2 — CID 54503741

IUPAC(E)-1,3-dimethoxy-2-methylprop-1-ene
SMILESCO/C=C(\C)COC
InChIInChI=1S/C6H12O2/c1-6(4-7-2)5-8-3/h4H,5H2,1-3H3/b6-4+
InChIKeyYEFXWTZMNSNMTQ-GQCTYLIASA-N
MW116.16 g/mol
LogP1.18
Rot. Bonds3

About (E)-1,3-dimethoxy-2-methylprop-1-ene

(E)-1,3-dimethoxy-2-methylprop-1-ene (PubChem CID 54503741) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (E)-1,3-dimethoxy-2-methylprop-1-ene.

Molecular Properties

Compound Name(E)-1,3-dimethoxy-2-methylprop-1-ene
PubChem CID54503741
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(E)-1,3-dimethoxy-2-methylprop-1-ene
SMILESCO/C=C(\C)COC
InChIInChI=1S/C6H12O2/c1-6(4-7-2)5-8-3/h4H,5H2,1-3H3/b6-4+
InChIKeyYEFXWTZMNSNMTQ-GQCTYLIASA-N
XLogP1.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,3-dimethoxy-2-methylprop-1-ene?
The IUPAC name of (E)-1,3-dimethoxy-2-methylprop-1-ene (CID 54503741) is (E)-1,3-dimethoxy-2-methylprop-1-ene.
What is the SMILES notation for (E)-1,3-dimethoxy-2-methylprop-1-ene?
The canonical SMILES for (E)-1,3-dimethoxy-2-methylprop-1-ene is CO/C=C(\C)COC.
What is the InChIKey of (E)-1,3-dimethoxy-2-methylprop-1-ene?
The InChIKey is YEFXWTZMNSNMTQ-GQCTYLIASA-N. The full InChI is InChI=1S/C6H12O2/c1-6(4-7-2)5-8-3/h4H,5H2,1-3H3/b6-4+.
What are the key properties of (E)-1,3-dimethoxy-2-methylprop-1-ene?
(E)-1,3-dimethoxy-2-methylprop-1-ene has a molecular weight of 116.16 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-dimethoxy-2-methylprop-1-ene is sourced from PubChem (CID 54503741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).