(6Z,9Z)-18-bromooctadeca-6,9-diene;ethane

C20H39Br — CID 143991975

IUPAC(6Z,9Z)-18-bromooctadeca-6,9-diene;ethane
SMILESCC.CCCCC/C=C\C/C=C\CCCCCCCCBr
InChIInChI=1S/C18H33Br.C2H6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2/h6-7,9-10H,2-5,8,11-18H2,1H3;1-2H3/b7-6-,10-9-;
InChIKeyOVMHMUMGTNYIKV-NBTZWHCOSA-N
MW359.44 g/mol
LogP8.22
Rot. Bonds14

About (6Z,9Z)-18-bromooctadeca-6,9-diene;ethane

(6Z,9Z)-18-bromooctadeca-6,9-diene;ethane (PubChem CID 143991975) has the molecular formula C20H39Br and a molecular weight of 359.44 g/mol. Its IUPAC name is (6Z,9Z)-18-bromooctadeca-6,9-diene;ethane.

Molecular Properties

Compound Name(6Z,9Z)-18-bromooctadeca-6,9-diene;ethane
PubChem CID143991975
Molecular FormulaC20H39Br
Molecular Weight359.44 g/mol
Exact Mass358.22
IUPAC Name(6Z,9Z)-18-bromooctadeca-6,9-diene;ethane
SMILESCC.CCCCC/C=C\C/C=C\CCCCCCCCBr
InChIInChI=1S/C18H33Br.C2H6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2/h6-7,9-10H,2-5,8,11-18H2,1H3;1-2H3/b7-6-,10-9-;
InChIKeyOVMHMUMGTNYIKV-NBTZWHCOSA-N
XLogP8.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.44
LogP ≤ 58.22
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z,9Z)-18-bromooctadeca-6,9-diene;ethane?
The IUPAC name of (6Z,9Z)-18-bromooctadeca-6,9-diene;ethane (CID 143991975) is (6Z,9Z)-18-bromooctadeca-6,9-diene;ethane.
What is the SMILES notation for (6Z,9Z)-18-bromooctadeca-6,9-diene;ethane?
The canonical SMILES for (6Z,9Z)-18-bromooctadeca-6,9-diene;ethane is CC.CCCCC/C=C\C/C=C\CCCCCCCCBr.
What is the InChIKey of (6Z,9Z)-18-bromooctadeca-6,9-diene;ethane?
The InChIKey is OVMHMUMGTNYIKV-NBTZWHCOSA-N. The full InChI is InChI=1S/C18H33Br.C2H6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2/h6-7,9-10H,2-5,8,11-18H2,1H3;1-2H3/b7-6-,10-9-;.
What are the key properties of (6Z,9Z)-18-bromooctadeca-6,9-diene;ethane?
(6Z,9Z)-18-bromooctadeca-6,9-diene;ethane has a molecular weight of 359.44 g/mol, XLogP of 8.22, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z)-18-bromooctadeca-6,9-diene;ethane is sourced from PubChem (CID 143991975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).