(3E)-2-bromonona-1,3-diene

C9H15Br — CID 10512335

IUPAC(3E)-2-bromonona-1,3-diene
SMILESC=C(Br)/C=C/CCCCC
InChIInChI=1S/C9H15Br/c1-3-4-5-6-7-8-9(2)10/h7-8H,2-6H2,1H3/b8-7+
InChIKeyHRLSWFIJUCFHCT-BQYQJAHWSA-N
MW203.12 g/mol
LogP4.03
Rot. Bonds5

About (3E)-2-bromonona-1,3-diene

(3E)-2-bromonona-1,3-diene (PubChem CID 10512335) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is (3E)-2-bromonona-1,3-diene.

Molecular Properties

Compound Name(3E)-2-bromonona-1,3-diene
PubChem CID10512335
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name(3E)-2-bromonona-1,3-diene
SMILESC=C(Br)/C=C/CCCCC
InChIInChI=1S/C9H15Br/c1-3-4-5-6-7-8-9(2)10/h7-8H,2-6H2,1H3/b8-7+
InChIKeyHRLSWFIJUCFHCT-BQYQJAHWSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-methylidenetetradec-7-ene
CID 101198488
(7Z,9E)-8-bromoheptadeca-7,9-diene
CID 134932125
(Z)-7-methylidenedodec-5-en-1-ol
CID 59925998
(E)-2-methylidenehexadec-3-enoic acid
CID 87166223
(Z)-2-methylidenedodec-3-enoic acid
CID 88589048
(Z)-oct-2-enoic acid
CID 5282713
(6Z,10E)-8-methylideneheptadeca-6,10-dien-9-ol
CID 10468022
heptadeca-1,7-diene
CID 57204265
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentacosa-1,16-diene
CID 57082437
triaconta-1,19-diene
CID 54007897

Frequently Asked Questions

What is the IUPAC name of (3E)-2-bromonona-1,3-diene?
The IUPAC name of (3E)-2-bromonona-1,3-diene (CID 10512335) is (3E)-2-bromonona-1,3-diene.
What is the SMILES notation for (3E)-2-bromonona-1,3-diene?
The canonical SMILES for (3E)-2-bromonona-1,3-diene is C=C(Br)/C=C/CCCCC.
What is the InChIKey of (3E)-2-bromonona-1,3-diene?
The InChIKey is HRLSWFIJUCFHCT-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H15Br/c1-3-4-5-6-7-8-9(2)10/h7-8H,2-6H2,1H3/b8-7+.
What are the key properties of (3E)-2-bromonona-1,3-diene?
(3E)-2-bromonona-1,3-diene has a molecular weight of 203.12 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-bromonona-1,3-diene is sourced from PubChem (CID 10512335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).