1-[(E)-but-1-enoxy]-3-methylbut-2-ene

C9H16O — CID 10582873

IUPAC1-[(E)-but-1-enoxy]-3-methylbut-2-ene
SMILESCC/C=C/OCC=C(C)C
InChIInChI=1S/C9H16O/c1-4-5-7-10-8-6-9(2)3/h5-7H,4,8H2,1-3H3/b7-5+
InChIKeyVAWFSQNWIMGZPK-FNORWQNLSA-N
MW140.23 g/mol
LogP2.89
Rot. Bonds4

About 1-[(E)-but-1-enoxy]-3-methylbut-2-ene

1-[(E)-but-1-enoxy]-3-methylbut-2-ene (PubChem CID 10582873) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-[(E)-but-1-enoxy]-3-methylbut-2-ene.

Molecular Properties

Compound Name1-[(E)-but-1-enoxy]-3-methylbut-2-ene
PubChem CID10582873
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-[(E)-but-1-enoxy]-3-methylbut-2-ene
SMILESCC/C=C/OCC=C(C)C
InChIInChI=1S/C9H16O/c1-4-5-7-10-8-6-9(2)3/h5-7H,4,8H2,1-3H3/b7-5+
InChIKeyVAWFSQNWIMGZPK-FNORWQNLSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enoxy]-3-methylbut-2-ene?
The IUPAC name of 1-[(E)-but-1-enoxy]-3-methylbut-2-ene (CID 10582873) is 1-[(E)-but-1-enoxy]-3-methylbut-2-ene.
What is the SMILES notation for 1-[(E)-but-1-enoxy]-3-methylbut-2-ene?
The canonical SMILES for 1-[(E)-but-1-enoxy]-3-methylbut-2-ene is CC/C=C/OCC=C(C)C.
What is the InChIKey of 1-[(E)-but-1-enoxy]-3-methylbut-2-ene?
The InChIKey is VAWFSQNWIMGZPK-FNORWQNLSA-N. The full InChI is InChI=1S/C9H16O/c1-4-5-7-10-8-6-9(2)3/h5-7H,4,8H2,1-3H3/b7-5+.
What are the key properties of 1-[(E)-but-1-enoxy]-3-methylbut-2-ene?
1-[(E)-but-1-enoxy]-3-methylbut-2-ene has a molecular weight of 140.23 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enoxy]-3-methylbut-2-ene is sourced from PubChem (CID 10582873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).