1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene

C11H22O2 — CID 87702218

IUPAC1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene
SMILESCCOC=C(C)C.COC=C(C)C
InChIInChI=1S/C6H12O.C5H10O/c1-4-7-5-6(2)3;1-5(2)4-6-3/h5H,4H2,1-3H3;4H,1-3H3
InChIKeyNFIXOMRBTASFBK-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.50
Rot. Bonds3

About 1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene

1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene (PubChem CID 87702218) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene.

Molecular Properties

Compound Name1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene
PubChem CID87702218
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene
SMILESCCOC=C(C)C.COC=C(C)C
InChIInChI=1S/C6H12O.C5H10O/c1-4-7-5-6(2)3;1-5(2)4-6-3/h5H,4H2,1-3H3;4H,1-3H3
InChIKeyNFIXOMRBTASFBK-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.50
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 1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene?
The IUPAC name of 1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene (CID 87702218) is 1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene.
What is the SMILES notation for 1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene?
The canonical SMILES for 1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene is CCOC=C(C)C.COC=C(C)C.
What is the InChIKey of 1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene?
The InChIKey is NFIXOMRBTASFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C5H10O/c1-4-7-5-6(2)3;1-5(2)4-6-3/h5H,4H2,1-3H3;4H,1-3H3.
What are the key properties of 1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene?
1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene has a molecular weight of 186.29 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene is sourced from PubChem (CID 87702218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).