(Z)-4-bromopent-2-ene;(E)-2-methylpent-2-enal

C11H19BrO — CID 143343622

IUPAC(Z)-4-bromopent-2-ene;(E)-2-methylpent-2-enal
SMILESC/C=C\C(C)Br.CC/C=C(\C)C=O
InChIInChI=1S/C6H10O.C5H9Br/c1-3-4-6(2)5-7;1-3-4-5(2)6/h4-5H,3H2,1-2H3;3-5H,1-2H3/b6-4+;4-3-
InChIKeyVHXZJDFAKWRYEF-DNPFMGSFSA-N
MW247.18 g/mol
LogP3.89
Rot. Bonds3

About (Z)-4-bromopent-2-ene;(E)-2-methylpent-2-enal

(Z)-4-bromopent-2-ene;(E)-2-methylpent-2-enal (PubChem CID 143343622) has the molecular formula C11H19BrO and a molecular weight of 247.18 g/mol. Its IUPAC name is (Z)-4-bromopent-2-ene;(E)-2-methylpent-2-enal.

Molecular Properties

Compound Name(Z)-4-bromopent-2-ene;(E)-2-methylpent-2-enal
PubChem CID143343622
Molecular FormulaC11H19BrO
Molecular Weight247.18 g/mol
Exact Mass246.06
IUPAC Name(Z)-4-bromopent-2-ene;(E)-2-methylpent-2-enal
SMILESC/C=C\C(C)Br.CC/C=C(\C)C=O
InChIInChI=1S/C6H10O.C5H9Br/c1-3-4-6(2)5-7;1-3-4-5(2)6/h4-5H,3H2,1-2H3;3-5H,1-2H3/b6-4+;4-3-
InChIKeyVHXZJDFAKWRYEF-DNPFMGSFSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2,5,6-trimethylhept-2-enal
CID 14817968
(2Z,5E)-5-methylocta-2,5-dien-4-ol
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(E)-2-bromohex-3-ene
CID 15881334
(E,2R)-2,3-dimethylhex-3-enal
CID 88870284
(E)-5-hydroxy-2,6-dimethylnon-2-enal
CID 87291633
(Z)-2-bromopent-2-enal
CID 16664496
(E)-5-hydroxy-2,7-dimethyloct-2-enal
CID 87292232
(2E,6E)-2,6-dimethylocta-2,6-dienal
CID 19035325
benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene
CID 144597093
ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene
CID 142050106
2-methyl-4-(3-methyl-4-oxobut-2-enyl)sulfanylbut-2-enal
CID 57077707
(E)-2,10,16-trimethyldocos-2-enal
CID 14804078

Frequently Asked Questions

What is the IUPAC name of (Z)-4-bromopent-2-ene;(E)-2-methylpent-2-enal?
The IUPAC name of (Z)-4-bromopent-2-ene;(E)-2-methylpent-2-enal (CID 143343622) is (Z)-4-bromopent-2-ene;(E)-2-methylpent-2-enal.
What is the SMILES notation for (Z)-4-bromopent-2-ene;(E)-2-methylpent-2-enal?
The canonical SMILES for (Z)-4-bromopent-2-ene;(E)-2-methylpent-2-enal is C/C=C\C(C)Br.CC/C=C(\C)C=O.
What is the InChIKey of (Z)-4-bromopent-2-ene;(E)-2-methylpent-2-enal?
The InChIKey is VHXZJDFAKWRYEF-DNPFMGSFSA-N. The full InChI is InChI=1S/C6H10O.C5H9Br/c1-3-4-6(2)5-7;1-3-4-5(2)6/h4-5H,3H2,1-2H3;3-5H,1-2H3/b6-4+;4-3-.
What are the key properties of (Z)-4-bromopent-2-ene;(E)-2-methylpent-2-enal?
(Z)-4-bromopent-2-ene;(E)-2-methylpent-2-enal has a molecular weight of 247.18 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-bromopent-2-ene;(E)-2-methylpent-2-enal is sourced from PubChem (CID 143343622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).