(3Z,6Z)-1-bromonona-3,6-diene

C9H15Br — CID 14077874

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

About (3Z,6Z)-1-bromonona-3,6-diene

(3Z,6Z)-1-bromonona-3,6-diene (PubChem CID 14077874) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is (3Z,6Z)-1-bromonona-3,6-diene.

Molecular Properties

Compound Name(3Z,6Z)-1-bromonona-3,6-diene
PubChem CID14077874
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name(3Z,6Z)-1-bromonona-3,6-diene
SMILESCC/C=C\C/C=C\CCBr
InChIInChI=1S/C9H15Br/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7H,2,5,8-9H2,1H3/b4-3-,7-6-
InChIKeySREJGOUZLGSTHN-CWWKMNTPSA-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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene
CID 86759790
pentadeca-3,6,9,12-tetraene
CID 123748490
(3Z,6Z,9Z,12Z,15Z,18Z)-28-bromooctacosa-3,6,9,12,15,18-hexaene;(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaen-1-ol
CID 160855326
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
(E)-12-bromododec-3-ene
CID 20561604
docosa-4,8,12,15,19-pentaenal
CID 54481142
heptadeca-3,6,12-triene
CID 54220025
(E)-6-bromohex-3-enal
CID 131237482
(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol
CID 167993921
henicosa-3,6-diene
CID 72727393
hexadeca-3,6,9-triene
CID 56627141

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-1-bromonona-3,6-diene?
The IUPAC name of (3Z,6Z)-1-bromonona-3,6-diene (CID 14077874) is (3Z,6Z)-1-bromonona-3,6-diene.
What is the SMILES notation for (3Z,6Z)-1-bromonona-3,6-diene?
The canonical SMILES for (3Z,6Z)-1-bromonona-3,6-diene is CC/C=C\C/C=C\CCBr.
What is the InChIKey of (3Z,6Z)-1-bromonona-3,6-diene?
The InChIKey is SREJGOUZLGSTHN-CWWKMNTPSA-N. The full InChI is InChI=1S/C9H15Br/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7H,2,5,8-9H2,1H3/b4-3-,7-6-.
What are the key properties of (3Z,6Z)-1-bromonona-3,6-diene?
(3Z,6Z)-1-bromonona-3,6-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,6Z)-1-bromonona-3,6-diene is sourced from PubChem (CID 14077874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).