(E)-2-propan-2-yloxybut-2-ene

C7H14O — CID 22498070

IUPAC(E)-2-propan-2-yloxybut-2-ene
SMILESC/C=C(\C)OC(C)C
InChIInChI=1S/C7H14O/c1-5-7(4)8-6(2)3/h5-6H,1-4H3/b7-5+
InChIKeyKNLUFZYYZQAXCV-FNORWQNLSA-N
MW114.19 g/mol
LogP2.34
Rot. Bonds2

About (E)-2-propan-2-yloxybut-2-ene

(E)-2-propan-2-yloxybut-2-ene (PubChem CID 22498070) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (E)-2-propan-2-yloxybut-2-ene.

Molecular Properties

Compound Name(E)-2-propan-2-yloxybut-2-ene
PubChem CID22498070
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(E)-2-propan-2-yloxybut-2-ene
SMILESC/C=C(\C)OC(C)C
InChIInChI=1S/C7H14O/c1-5-7(4)8-6(2)3/h5-6H,1-4H3/b7-5+
InChIKeyKNLUFZYYZQAXCV-FNORWQNLSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.34
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 (E)-2-propan-2-yloxybut-2-ene?
The IUPAC name of (E)-2-propan-2-yloxybut-2-ene (CID 22498070) is (E)-2-propan-2-yloxybut-2-ene.
What is the SMILES notation for (E)-2-propan-2-yloxybut-2-ene?
The canonical SMILES for (E)-2-propan-2-yloxybut-2-ene is C/C=C(\C)OC(C)C.
What is the InChIKey of (E)-2-propan-2-yloxybut-2-ene?
The InChIKey is KNLUFZYYZQAXCV-FNORWQNLSA-N. The full InChI is InChI=1S/C7H14O/c1-5-7(4)8-6(2)3/h5-6H,1-4H3/b7-5+.
What are the key properties of (E)-2-propan-2-yloxybut-2-ene?
(E)-2-propan-2-yloxybut-2-ene has a molecular weight of 114.19 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-propan-2-yloxybut-2-ene is sourced from PubChem (CID 22498070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).