(3Z,5E)-9-bromonona-3,5-diene

C9H15Br — CID 131242086

IUPAC(3Z,5E)-9-bromonona-3,5-diene
SMILESCC/C=C\C=C\CCCBr
InChIInChI=1S/C9H15Br/c1-2-3-4-5-6-7-8-9-10/h3-6H,2,7-9H2,1H3/b4-3-,6-5+
InChIKeyMJILYQLECVXXSB-DNVGVPOPSA-N
MW203.12 g/mol
LogP3.68
Rot. Bonds5

About (3Z,5E)-9-bromonona-3,5-diene

(3Z,5E)-9-bromonona-3,5-diene (PubChem CID 131242086) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is (3Z,5E)-9-bromonona-3,5-diene.

Molecular Properties

Compound Name(3Z,5E)-9-bromonona-3,5-diene
PubChem CID131242086
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name(3Z,5E)-9-bromonona-3,5-diene
SMILESCC/C=C\C=C\CCCBr
InChIInChI=1S/C9H15Br/c1-2-3-4-5-6-7-8-9-10/h3-6H,2,7-9H2,1H3/b4-3-,6-5+
InChIKeyMJILYQLECVXXSB-DNVGVPOPSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene
CID 86759790
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
pentadeca-3,5,7,12-tetraene
CID 142697862
(5Z,7E)-15-bromopentadeca-5,7-diene
CID 146189436
(5Z,7E)-21-bromohenicosa-5,7-diene
CID 146189402
(7E,9E)-18-bromooctadeca-7,9-diene
CID 14606014
(4E,6Z)-nona-4,6-dien-1-ol
CID 11286515
pentadeca-3,5,7,9-tetraene
CID 151958393
(E)-12-bromododec-3-ene
CID 20561604
(5E)-octa-3,5-diene
CID 173104147
(3E,5Z,9Z)-pentadeca-3,5,9-triene
CID 90384035
13-chlorotrideca-3,5-diene
CID 168861620

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-9-bromonona-3,5-diene?
The IUPAC name of (3Z,5E)-9-bromonona-3,5-diene (CID 131242086) is (3Z,5E)-9-bromonona-3,5-diene.
What is the SMILES notation for (3Z,5E)-9-bromonona-3,5-diene?
The canonical SMILES for (3Z,5E)-9-bromonona-3,5-diene is CC/C=C\C=C\CCCBr.
What is the InChIKey of (3Z,5E)-9-bromonona-3,5-diene?
The InChIKey is MJILYQLECVXXSB-DNVGVPOPSA-N. The full InChI is InChI=1S/C9H15Br/c1-2-3-4-5-6-7-8-9-10/h3-6H,2,7-9H2,1H3/b4-3-,6-5+.
What are the key properties of (3Z,5E)-9-bromonona-3,5-diene?
(3Z,5E)-9-bromonona-3,5-diene has a molecular weight of 203.12 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-9-bromonona-3,5-diene is sourced from PubChem (CID 131242086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).