(E)-but-2-ene;ethane;2-methyl-1-benzofuran

C17H28O — CID 143997020

IUPAC(E)-but-2-ene;ethane;2-methyl-1-benzofuran
SMILESC/C=C/C.CC.CC.Cc1cc2ccccc2o1
InChIInChI=1S/C9H8O.C4H8.2C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;1-3-4-2;2*1-2/h2-6H,1H3;3-4H,1-2H3;2*1-2H3/b;4-3+;;
InChIKeyRHYXEKXKRXOCKA-NXZCPFRHSA-N
MW248.41 g/mol
LogP6.38
Rot. Bonds

About (E)-but-2-ene;ethane;2-methyl-1-benzofuran

(E)-but-2-ene;ethane;2-methyl-1-benzofuran (PubChem CID 143997020) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is (E)-but-2-ene;ethane;2-methyl-1-benzofuran.

Molecular Properties

Compound Name(E)-but-2-ene;ethane;2-methyl-1-benzofuran
PubChem CID143997020
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name(E)-but-2-ene;ethane;2-methyl-1-benzofuran
SMILESC/C=C/C.CC.CC.Cc1cc2ccccc2o1
InChIInChI=1S/C9H8O.C4H8.2C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;1-3-4-2;2*1-2/h2-6H,1H3;3-4H,1-2H3;2*1-2H3/b;4-3+;;
InChIKeyRHYXEKXKRXOCKA-NXZCPFRHSA-N
XLogP6.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 56.38
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 (E)-but-2-ene;ethane;2-methyl-1-benzofuran?
The IUPAC name of (E)-but-2-ene;ethane;2-methyl-1-benzofuran (CID 143997020) is (E)-but-2-ene;ethane;2-methyl-1-benzofuran.
What is the SMILES notation for (E)-but-2-ene;ethane;2-methyl-1-benzofuran?
The canonical SMILES for (E)-but-2-ene;ethane;2-methyl-1-benzofuran is C/C=C/C.CC.CC.Cc1cc2ccccc2o1.
What is the InChIKey of (E)-but-2-ene;ethane;2-methyl-1-benzofuran?
The InChIKey is RHYXEKXKRXOCKA-NXZCPFRHSA-N. The full InChI is InChI=1S/C9H8O.C4H8.2C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;1-3-4-2;2*1-2/h2-6H,1H3;3-4H,1-2H3;2*1-2H3/b;4-3+;;.
What are the key properties of (E)-but-2-ene;ethane;2-methyl-1-benzofuran?
(E)-but-2-ene;ethane;2-methyl-1-benzofuran has a molecular weight of 248.41 g/mol, XLogP of 6.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;ethane;2-methyl-1-benzofuran is sourced from PubChem (CID 143997020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).