3-ethoxy-2-methylprop-1-ene

C6H12O — CID 10909503

IUPAC3-ethoxy-2-methylprop-1-ene
SMILESC=C(C)COCC
InChIInChI=1S/C6H12O/c1-4-7-5-6(2)3/h2,4-5H2,1,3H3
InChIKeyCVEARUDSOVGFAJ-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.60
Rot. Bonds3

About 3-ethoxy-2-methylprop-1-ene

3-ethoxy-2-methylprop-1-ene (PubChem CID 10909503) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 3-ethoxy-2-methylprop-1-ene.

Molecular Properties

Compound Name3-ethoxy-2-methylprop-1-ene
PubChem CID10909503
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name3-ethoxy-2-methylprop-1-ene
SMILESC=C(C)COCC
InChIInChI=1S/C6H12O/c1-4-7-5-6(2)3/h2,4-5H2,1,3H3
InChIKeyCVEARUDSOVGFAJ-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Ethoxy-3-methyl-2-butene
CID 5463936
1-Methoxy-3-methylbut-2-ene
CID 316780
Allyl ethyl ether
CID 11191
1-Propene, 3-propoxy-
CID 15119
Dimethallyl ether
CID 136448
3-(2-Methoxyethoxy)-2-methylprop-1-ene
CID 3081702
Ether, methyl 2-methylallyl
CID 519946
2,5-Dihydro-3-methylfuran
CID 533662
Allyl methallyl ether
CID 139722
Methallyl propyl ether
CID 521470
Ethyl 2-fluoro-2-propenyl ether
CID 59154795
3-(2-Bromoethoxy)-2-methylprop-1-ene
CID 85907730

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methylprop-1-ene?
The IUPAC name of 3-ethoxy-2-methylprop-1-ene (CID 10909503) is 3-ethoxy-2-methylprop-1-ene.
What is the SMILES notation for 3-ethoxy-2-methylprop-1-ene?
The canonical SMILES for 3-ethoxy-2-methylprop-1-ene is C=C(C)COCC.
What is the InChIKey of 3-ethoxy-2-methylprop-1-ene?
The InChIKey is CVEARUDSOVGFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-4-7-5-6(2)3/h2,4-5H2,1,3H3.
What are the key properties of 3-ethoxy-2-methylprop-1-ene?
3-ethoxy-2-methylprop-1-ene has a molecular weight of 100.16 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methylprop-1-ene is sourced from PubChem (CID 10909503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).