2-methyl-3-propan-2-yloxybut-2-ene

C8H16O — CID 521741

IUPAC2-methyl-3-propan-2-yloxybut-2-ene
SMILESCC(C)=C(C)OC(C)C
InChIInChI=1S/C8H16O/c1-6(2)8(5)9-7(3)4/h7H,1-5H3
InChIKeyABMNFPHVMBBGPI-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.73
Rot. Bonds2

About 2-methyl-3-propan-2-yloxybut-2-ene

2-methyl-3-propan-2-yloxybut-2-ene (PubChem CID 521741) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yloxybut-2-ene.

Molecular Properties

Compound Name2-methyl-3-propan-2-yloxybut-2-ene
PubChem CID521741
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2-methyl-3-propan-2-yloxybut-2-ene
SMILESCC(C)=C(C)OC(C)C
InChIInChI=1S/C8H16O/c1-6(2)8(5)9-7(3)4/h7H,1-5H3
InChIKeyABMNFPHVMBBGPI-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-3-propan-2-yloxybut-2-ene?
The IUPAC name of 2-methyl-3-propan-2-yloxybut-2-ene (CID 521741) is 2-methyl-3-propan-2-yloxybut-2-ene.
What is the SMILES notation for 2-methyl-3-propan-2-yloxybut-2-ene?
The canonical SMILES for 2-methyl-3-propan-2-yloxybut-2-ene is CC(C)=C(C)OC(C)C.
What is the InChIKey of 2-methyl-3-propan-2-yloxybut-2-ene?
The InChIKey is ABMNFPHVMBBGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-6(2)8(5)9-7(3)4/h7H,1-5H3.
What are the key properties of 2-methyl-3-propan-2-yloxybut-2-ene?
2-methyl-3-propan-2-yloxybut-2-ene has a molecular weight of 128.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yloxybut-2-ene is sourced from PubChem (CID 521741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).