2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene

C9H18O — CID 15032743

IUPAC2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene
SMILESC=C(C)CCOC(C)(C)C
InChIInChI=1S/C9H18O/c1-8(2)6-7-10-9(3,4)5/h1,6-7H2,2-5H3
InChIKeyKYHQFMVQQKADBF-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds3

About 2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene

2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene (PubChem CID 15032743) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene.

Molecular Properties

Compound Name2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene
PubChem CID15032743
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene
SMILESC=C(C)CCOC(C)(C)C
InChIInChI=1S/C9H18O/c1-8(2)6-7-10-9(3,4)5/h1,6-7H2,2-5H3
InChIKeyKYHQFMVQQKADBF-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene?
The IUPAC name of 2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene (CID 15032743) is 2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene.
What is the SMILES notation for 2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene?
The canonical SMILES for 2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene is C=C(C)CCOC(C)(C)C.
What is the InChIKey of 2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene?
The InChIKey is KYHQFMVQQKADBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2)6-7-10-9(3,4)5/h1,6-7H2,2-5H3.
What are the key properties of 2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene?
2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene is sourced from PubChem (CID 15032743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).