3-(1-ethoxyprop-2-ynoxy)-3-methylbut-1-ene

C10H16O2 — CID 10986651

IUPAC3-(1-ethoxyprop-2-ynoxy)-3-methylbut-1-ene
SMILESC#CC(OCC)OC(C)(C)C=C
InChIInChI=1S/C10H16O2/c1-6-9(11-8-3)12-10(4,5)7-2/h1,7,9H,2,8H2,3-5H3
InChIKeyMIWAYVRWLGHFSF-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.96
Rot. Bonds5

About 3-(1-ethoxyprop-2-ynoxy)-3-methylbut-1-ene

3-(1-ethoxyprop-2-ynoxy)-3-methylbut-1-ene (PubChem CID 10986651) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(1-ethoxyprop-2-ynoxy)-3-methylbut-1-ene.

Molecular Properties

Compound Name3-(1-ethoxyprop-2-ynoxy)-3-methylbut-1-ene
PubChem CID10986651
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-(1-ethoxyprop-2-ynoxy)-3-methylbut-1-ene
SMILESC#CC(OCC)OC(C)(C)C=C
InChIInChI=1S/C10H16O2/c1-6-9(11-8-3)12-10(4,5)7-2/h1,7,9H,2,8H2,3-5H3
InChIKeyMIWAYVRWLGHFSF-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.96
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1-Ethoxyethoxy)-3-methyl-1-penten-4-yne
CID 11105756
1-Butene, 3-methyl-3-(1-ethoxyethoxy)
CID 550067
3-(1-Ethoxyethoxy)-3-methylpent-1-ene
CID 134937261
2-Methyl-2-[1-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]propane
CID 18988590
3-(2-Methoxypropan-2-yloxy)-3-methylbut-1-ene
CID 46221333
3-(1-Ethoxyethoxy)hex-1-en-5-yne
CID 139683793
3-Methyl-3-[1-(2-methylbut-3-en-2-yloxy)but-2-enoxy]but-1-ene
CID 141314733
1-ethoxy-1-{[(3R)-3-methylpent-1-en-4-yn-3-yl]oxy}ethane
CID 137701494

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyprop-2-ynoxy)-3-methylbut-1-ene?
The IUPAC name of 3-(1-ethoxyprop-2-ynoxy)-3-methylbut-1-ene (CID 10986651) is 3-(1-ethoxyprop-2-ynoxy)-3-methylbut-1-ene.
What is the SMILES notation for 3-(1-ethoxyprop-2-ynoxy)-3-methylbut-1-ene?
The canonical SMILES for 3-(1-ethoxyprop-2-ynoxy)-3-methylbut-1-ene is C#CC(OCC)OC(C)(C)C=C.
What is the InChIKey of 3-(1-ethoxyprop-2-ynoxy)-3-methylbut-1-ene?
The InChIKey is MIWAYVRWLGHFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-9(11-8-3)12-10(4,5)7-2/h1,7,9H,2,8H2,3-5H3.
What are the key properties of 3-(1-ethoxyprop-2-ynoxy)-3-methylbut-1-ene?
3-(1-ethoxyprop-2-ynoxy)-3-methylbut-1-ene has a molecular weight of 168.24 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyprop-2-ynoxy)-3-methylbut-1-ene is sourced from PubChem (CID 10986651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).