(E)-1-bromopent-2-ene;(Z)-but-2-ene;ethane;formaldehyde;2-methoxy-2-methylpropane

C17H37BrO2 — CID 143346454

IUPAC(E)-1-bromopent-2-ene;(Z)-but-2-ene;ethane;formaldehyde;2-methoxy-2-methylpropane
SMILESC/C=C\C.C=O.CC.CC/C=C/CBr.COC(C)(C)C
InChIInChI=1S/C5H9Br.C5H12O.C4H8.C2H6.CH2O/c1-2-3-4-5-6;1-5(2,3)6-4;1-3-4-2;2*1-2/h3-4H,2,5H2,1H3;1-4H3;3-4H,1-2H3;1-2H3;1H2/b4-3+;;4-3-;;
InChIKeyVUAXUFNBVZRWHJ-QWONZJFOSA-N
MW353.39 g/mol
LogP6.20
Rot. Bonds2

About (E)-1-bromopent-2-ene;(Z)-but-2-ene;ethane;formaldehyde;2-methoxy-2-methylpropane

(E)-1-bromopent-2-ene;(Z)-but-2-ene;ethane;formaldehyde;2-methoxy-2-methylpropane (PubChem CID 143346454) has the molecular formula C17H37BrO2 and a molecular weight of 353.39 g/mol. Its IUPAC name is (E)-1-bromopent-2-ene;(Z)-but-2-ene;ethane;formaldehyde;2-methoxy-2-methylpropane.

Molecular Properties

Compound Name(E)-1-bromopent-2-ene;(Z)-but-2-ene;ethane;formaldehyde;2-methoxy-2-methylpropane
PubChem CID143346454
Molecular FormulaC17H37BrO2
Molecular Weight353.39 g/mol
Exact Mass352.20
IUPAC Name(E)-1-bromopent-2-ene;(Z)-but-2-ene;ethane;formaldehyde;2-methoxy-2-methylpropane
SMILESC/C=C\C.C=O.CC.CC/C=C/CBr.COC(C)(C)C
InChIInChI=1S/C5H9Br.C5H12O.C4H8.C2H6.CH2O/c1-2-3-4-5-6;1-5(2,3)6-4;1-3-4-2;2*1-2/h3-4H,2,5H2,1H3;1-4H3;3-4H,1-2H3;1-2H3;1H2/b4-3+;;4-3-;;
InChIKeyVUAXUFNBVZRWHJ-QWONZJFOSA-N
XLogP6.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.39
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-bromopent-2-ene;(Z)-but-2-ene;ethane;formaldehyde;2-methoxy-2-methylpropane?
The IUPAC name of (E)-1-bromopent-2-ene;(Z)-but-2-ene;ethane;formaldehyde;2-methoxy-2-methylpropane (CID 143346454) is (E)-1-bromopent-2-ene;(Z)-but-2-ene;ethane;formaldehyde;2-methoxy-2-methylpropane.
What is the SMILES notation for (E)-1-bromopent-2-ene;(Z)-but-2-ene;ethane;formaldehyde;2-methoxy-2-methylpropane?
The canonical SMILES for (E)-1-bromopent-2-ene;(Z)-but-2-ene;ethane;formaldehyde;2-methoxy-2-methylpropane is C/C=C\C.C=O.CC.CC/C=C/CBr.COC(C)(C)C.
What is the InChIKey of (E)-1-bromopent-2-ene;(Z)-but-2-ene;ethane;formaldehyde;2-methoxy-2-methylpropane?
The InChIKey is VUAXUFNBVZRWHJ-QWONZJFOSA-N. The full InChI is InChI=1S/C5H9Br.C5H12O.C4H8.C2H6.CH2O/c1-2-3-4-5-6;1-5(2,3)6-4;1-3-4-2;2*1-2/h3-4H,2,5H2,1H3;1-4H3;3-4H,1-2H3;1-2H3;1H2/b4-3+;;4-3-;;.
What are the key properties of (E)-1-bromopent-2-ene;(Z)-but-2-ene;ethane;formaldehyde;2-methoxy-2-methylpropane?
(E)-1-bromopent-2-ene;(Z)-but-2-ene;ethane;formaldehyde;2-methoxy-2-methylpropane has a molecular weight of 353.39 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromopent-2-ene;(Z)-but-2-ene;ethane;formaldehyde;2-methoxy-2-methylpropane is sourced from PubChem (CID 143346454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).