3-(2-methoxypropan-2-yloxy)-3-methylbut-1-ene

C9H18O2 — CID 46221333

IUPAC3-(2-methoxypropan-2-yloxy)-3-methylbut-1-ene
SMILESC=CC(C)(C)OC(C)(C)OC
InChIInChI=1S/C9H18O2/c1-7-8(2,3)11-9(4,5)10-6/h7H,1H2,2-6H3
InChIKeyULPJXFGOWKYLFZ-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.35
Rot. Bonds4

About 3-(2-methoxypropan-2-yloxy)-3-methylbut-1-ene

3-(2-methoxypropan-2-yloxy)-3-methylbut-1-ene (PubChem CID 46221333) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(2-methoxypropan-2-yloxy)-3-methylbut-1-ene.

Molecular Properties

Compound Name3-(2-methoxypropan-2-yloxy)-3-methylbut-1-ene
PubChem CID46221333
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-(2-methoxypropan-2-yloxy)-3-methylbut-1-ene
SMILESC=CC(C)(C)OC(C)(C)OC
InChIInChI=1S/C9H18O2/c1-7-8(2,3)11-9(4,5)10-6/h7H,1H2,2-6H3
InChIKeyULPJXFGOWKYLFZ-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.35
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 3-(2-methoxypropan-2-yloxy)-3-methylbut-1-ene?
The IUPAC name of 3-(2-methoxypropan-2-yloxy)-3-methylbut-1-ene (CID 46221333) is 3-(2-methoxypropan-2-yloxy)-3-methylbut-1-ene.
What is the SMILES notation for 3-(2-methoxypropan-2-yloxy)-3-methylbut-1-ene?
The canonical SMILES for 3-(2-methoxypropan-2-yloxy)-3-methylbut-1-ene is C=CC(C)(C)OC(C)(C)OC.
What is the InChIKey of 3-(2-methoxypropan-2-yloxy)-3-methylbut-1-ene?
The InChIKey is ULPJXFGOWKYLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7-8(2,3)11-9(4,5)10-6/h7H,1H2,2-6H3.
What are the key properties of 3-(2-methoxypropan-2-yloxy)-3-methylbut-1-ene?
3-(2-methoxypropan-2-yloxy)-3-methylbut-1-ene has a molecular weight of 158.24 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropan-2-yloxy)-3-methylbut-1-ene is sourced from PubChem (CID 46221333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).