dec-5-ene;trihydrobromide

C10H23Br3 — CID 175802238

IUPACdec-5-ene;trihydrobromide
SMILESBr.Br.Br.CCCCC=CCCCC
InChIInChI=1S/C10H20.3BrH/c1-3-5-7-9-10-8-6-4-2;;;/h9-10H,3-8H2,1-2H3;3*1H
InChIKeyVGNAXYLBXYSDIR-UHFFFAOYSA-N
MW383.01 g/mol
LogP5.66
Rot. Bonds6

About dec-5-ene;trihydrobromide

dec-5-ene;trihydrobromide (PubChem CID 175802238) has the molecular formula C10H23Br3 and a molecular weight of 383.01 g/mol. Its IUPAC name is dec-5-ene;trihydrobromide.

Molecular Properties

Compound Namedec-5-ene;trihydrobromide
PubChem CID175802238
Molecular FormulaC10H23Br3
Molecular Weight383.01 g/mol
Exact Mass379.93
IUPAC Namedec-5-ene;trihydrobromide
SMILESBr.Br.Br.CCCCC=CCCCC
InChIInChI=1S/C10H20.3BrH/c1-3-5-7-9-10-8-6-4-2;;;/h9-10H,3-8H2,1-2H3;3*1H
InChIKeyVGNAXYLBXYSDIR-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.01
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4E,9Z)-tetradeca-4,9-diene
CID 152732976
pentadeca-4,10-diene
CID 54306056
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
heptadeca-5,9-diene
CID 123203573
methane;(5Z,8Z,11Z,14Z)-nonadeca-5,8,11,14-tetraene
CID 159218033
(5E,9E)-nonacosa-5,9-diene
CID 56936191
(Z)-tricos-11-ene
CID 5356790
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300

Frequently Asked Questions

What is the IUPAC name of dec-5-ene;trihydrobromide?
The IUPAC name of dec-5-ene;trihydrobromide (CID 175802238) is dec-5-ene;trihydrobromide.
What is the SMILES notation for dec-5-ene;trihydrobromide?
The canonical SMILES for dec-5-ene;trihydrobromide is Br.Br.Br.CCCCC=CCCCC.
What is the InChIKey of dec-5-ene;trihydrobromide?
The InChIKey is VGNAXYLBXYSDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.3BrH/c1-3-5-7-9-10-8-6-4-2;;;/h9-10H,3-8H2,1-2H3;3*1H.
What are the key properties of dec-5-ene;trihydrobromide?
dec-5-ene;trihydrobromide has a molecular weight of 383.01 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dec-5-ene;trihydrobromide is sourced from PubChem (CID 175802238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).