2-(1-methoxypropan-2-yloxy)-3-methylbuta-1,3-diene

C9H16O2 — CID 89083367

IUPAC2-(1-methoxypropan-2-yloxy)-3-methylbuta-1,3-diene
SMILESC=C(C)C(=C)OC(C)COC
InChIInChI=1S/C9H16O2/c1-7(2)9(4)11-8(3)6-10-5/h8H,1,4,6H2,2-3,5H3
InChIKeyYWFYEESVJUKEIP-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.13
Rot. Bonds5

About 2-(1-methoxypropan-2-yloxy)-3-methylbuta-1,3-diene

2-(1-methoxypropan-2-yloxy)-3-methylbuta-1,3-diene (PubChem CID 89083367) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yloxy)-3-methylbuta-1,3-diene.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yloxy)-3-methylbuta-1,3-diene
PubChem CID89083367
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(1-methoxypropan-2-yloxy)-3-methylbuta-1,3-diene
SMILESC=C(C)C(=C)OC(C)COC
InChIInChI=1S/C9H16O2/c1-7(2)9(4)11-8(3)6-10-5/h8H,1,4,6H2,2-3,5H3
InChIKeyYWFYEESVJUKEIP-UHFFFAOYSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yloxy)-3-methylbuta-1,3-diene?
The IUPAC name of 2-(1-methoxypropan-2-yloxy)-3-methylbuta-1,3-diene (CID 89083367) is 2-(1-methoxypropan-2-yloxy)-3-methylbuta-1,3-diene.
What is the SMILES notation for 2-(1-methoxypropan-2-yloxy)-3-methylbuta-1,3-diene?
The canonical SMILES for 2-(1-methoxypropan-2-yloxy)-3-methylbuta-1,3-diene is C=C(C)C(=C)OC(C)COC.
What is the InChIKey of 2-(1-methoxypropan-2-yloxy)-3-methylbuta-1,3-diene?
The InChIKey is YWFYEESVJUKEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)9(4)11-8(3)6-10-5/h8H,1,4,6H2,2-3,5H3.
What are the key properties of 2-(1-methoxypropan-2-yloxy)-3-methylbuta-1,3-diene?
2-(1-methoxypropan-2-yloxy)-3-methylbuta-1,3-diene has a molecular weight of 156.22 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yloxy)-3-methylbuta-1,3-diene is sourced from PubChem (CID 89083367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).