(E)-18-bromooctadec-6-ene

C18H35Br — CID 10711567

IUPAC(E)-18-bromooctadec-6-ene
SMILESCCCCC/C=C/CCCCCCCCCCCBr
InChIInChI=1S/C18H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7H,2-5,8-18H2,1H3/b7-6+
InChIKeyAUHQDWVZQJRXBO-VOTSOKGWSA-N
MW331.38 g/mol
LogP7.42
Rot. Bonds15

About (E)-18-bromooctadec-6-ene

(E)-18-bromooctadec-6-ene (PubChem CID 10711567) has the molecular formula C18H35Br and a molecular weight of 331.38 g/mol. Its IUPAC name is (E)-18-bromooctadec-6-ene.

Molecular Properties

Compound Name(E)-18-bromooctadec-6-ene
PubChem CID10711567
Molecular FormulaC18H35Br
Molecular Weight331.38 g/mol
Exact Mass330.19
IUPAC Name(E)-18-bromooctadec-6-ene
SMILESCCCCC/C=C/CCCCCCCCCCCBr
InChIInChI=1S/C18H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7H,2-5,8-18H2,1H3/b7-6+
InChIKeyAUHQDWVZQJRXBO-VOTSOKGWSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.38
LogP ≤ 57.42
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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Related Compounds

(Z)-1-bromotetradec-6-ene
CID 58641109
(E)-1-bromoundec-5-ene
CID 13044969
(E)-15-bromopentadec-5-ene
CID 14309355
(Z)-16-bromohexadec-5-ene
CID 11645149
(6Z,9Z)-18-bromooctadeca-6,9-diene;ethane
CID 143991975
(6Z,9Z)-1-bromopentadeca-6,9-diene
CID 135359087
(7E,9E)-18-bromooctadeca-7,9-diene
CID 14606014
(5Z,8Z)-1-bromotetradeca-5,8-diene
CID 11482688
1-bromoundec-3-ene
CID 54069038
(5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane
CID 144695117
(E)-nonacos-10-ene
CID 14367300
(Z)-heptacos-11-ene
CID 56936074

Frequently Asked Questions

What is the IUPAC name of (E)-18-bromooctadec-6-ene?
The IUPAC name of (E)-18-bromooctadec-6-ene (CID 10711567) is (E)-18-bromooctadec-6-ene.
What is the SMILES notation for (E)-18-bromooctadec-6-ene?
The canonical SMILES for (E)-18-bromooctadec-6-ene is CCCCC/C=C/CCCCCCCCCCCBr.
What is the InChIKey of (E)-18-bromooctadec-6-ene?
The InChIKey is AUHQDWVZQJRXBO-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7H,2-5,8-18H2,1H3/b7-6+.
What are the key properties of (E)-18-bromooctadec-6-ene?
(E)-18-bromooctadec-6-ene has a molecular weight of 331.38 g/mol, XLogP of 7.42, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-18-bromooctadec-6-ene is sourced from PubChem (CID 10711567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).