4-bromodeca-1,8-diene

C10H17Br — CID 150882644

IUPAC4-bromodeca-1,8-diene
SMILESC=CCC(Br)CCCC=CC
InChIInChI=1S/C10H17Br/c1-3-5-6-7-9-10(11)8-4-2/h3-5,10H,2,6-9H2,1H3
InChIKeyKWIOHXBECZCHRF-UHFFFAOYSA-N
MW217.15 g/mol
LogP4.07
Rot. Bonds6

About 4-bromodeca-1,8-diene

4-bromodeca-1,8-diene (PubChem CID 150882644) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is 4-bromodeca-1,8-diene.

Molecular Properties

Compound Name4-bromodeca-1,8-diene
PubChem CID150882644
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name4-bromodeca-1,8-diene
SMILESC=CCC(Br)CCCC=CC
InChIInChI=1S/C10H17Br/c1-3-5-6-7-9-10(11)8-4-2/h3-5,10H,2,6-9H2,1H3
InChIKeyKWIOHXBECZCHRF-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 54.07
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

(6E)-4-bromoocta-1,6-diene
CID 87341581
(7E)-4-methylnona-1,7-diene
CID 173060914
(E)-7,7-difluorohept-2-ene
CID 58814949
dodeca-1,4,10-triene
CID 174048310
5-bromooct-2-ene
CID 57219131
trideca-1,4,11-triene
CID 172759150
5-bromohex-2-ene
CID 53438987
7,8-dimethyldec-2-ene
CID 123474152
6-bromohept-1-ene
CID 12722403
11-bromohenicosa-1,20-diene
CID 102253799
3-bromohepta-1,5-diene
CID 123472776
nona-1,7-dien-2-ol
CID 172729481

Frequently Asked Questions

What is the IUPAC name of 4-bromodeca-1,8-diene?
The IUPAC name of 4-bromodeca-1,8-diene (CID 150882644) is 4-bromodeca-1,8-diene.
What is the SMILES notation for 4-bromodeca-1,8-diene?
The canonical SMILES for 4-bromodeca-1,8-diene is C=CCC(Br)CCCC=CC.
What is the InChIKey of 4-bromodeca-1,8-diene?
The InChIKey is KWIOHXBECZCHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c1-3-5-6-7-9-10(11)8-4-2/h3-5,10H,2,6-9H2,1H3.
What are the key properties of 4-bromodeca-1,8-diene?
4-bromodeca-1,8-diene has a molecular weight of 217.15 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromodeca-1,8-diene is sourced from PubChem (CID 150882644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).