2,3-bis(2-methylpropoxy)but-1-ene

C12H24O2 — CID 122225376

IUPAC2,3-bis(2-methylpropoxy)but-1-ene
SMILESC=C(OCC(C)C)C(C)OCC(C)C
InChIInChI=1S/C12H24O2/c1-9(2)7-13-11(5)12(6)14-8-10(3)4/h9-10,12H,5,7-8H2,1-4,6H3
InChIKeySGMJQVVHWWASJQ-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.23
Rot. Bonds7

About 2,3-bis(2-methylpropoxy)but-1-ene

2,3-bis(2-methylpropoxy)but-1-ene (PubChem CID 122225376) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,3-bis(2-methylpropoxy)but-1-ene.

Molecular Properties

Compound Name2,3-bis(2-methylpropoxy)but-1-ene
PubChem CID122225376
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2,3-bis(2-methylpropoxy)but-1-ene
SMILESC=C(OCC(C)C)C(C)OCC(C)C
InChIInChI=1S/C12H24O2/c1-9(2)7-13-11(5)12(6)14-8-10(3)4/h9-10,12H,5,7-8H2,1-4,6H3
InChIKeySGMJQVVHWWASJQ-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.23
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 2,3-bis(2-methylpropoxy)but-1-ene?
The IUPAC name of 2,3-bis(2-methylpropoxy)but-1-ene (CID 122225376) is 2,3-bis(2-methylpropoxy)but-1-ene.
What is the SMILES notation for 2,3-bis(2-methylpropoxy)but-1-ene?
The canonical SMILES for 2,3-bis(2-methylpropoxy)but-1-ene is C=C(OCC(C)C)C(C)OCC(C)C.
What is the InChIKey of 2,3-bis(2-methylpropoxy)but-1-ene?
The InChIKey is SGMJQVVHWWASJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-9(2)7-13-11(5)12(6)14-8-10(3)4/h9-10,12H,5,7-8H2,1-4,6H3.
What are the key properties of 2,3-bis(2-methylpropoxy)but-1-ene?
2,3-bis(2-methylpropoxy)but-1-ene has a molecular weight of 200.32 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-methylpropoxy)but-1-ene is sourced from PubChem (CID 122225376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).