3,6,7-tribromodec-1-ene

C10H17Br3 — CID 57159132

IUPAC3,6,7-tribromodec-1-ene
SMILESC=CC(Br)CCC(Br)C(Br)CCC
InChIInChI=1S/C10H17Br3/c1-3-5-9(12)10(13)7-6-8(11)4-2/h4,8-10H,2-3,5-7H2,1H3
InChIKeyXSMRUPQYTZJFNZ-UHFFFAOYSA-N
MW376.96 g/mol
LogP5.04
Rot. Bonds7

About 3,6,7-tribromodec-1-ene

3,6,7-tribromodec-1-ene (PubChem CID 57159132) has the molecular formula C10H17Br3 and a molecular weight of 376.96 g/mol. Its IUPAC name is 3,6,7-tribromodec-1-ene.

Molecular Properties

Compound Name3,6,7-tribromodec-1-ene
PubChem CID57159132
Molecular FormulaC10H17Br3
Molecular Weight376.96 g/mol
Exact Mass373.89
IUPAC Name3,6,7-tribromodec-1-ene
SMILESC=CC(Br)CCC(Br)C(Br)CCC
InChIInChI=1S/C10H17Br3/c1-3-5-9(12)10(13)7-6-8(11)4-2/h4,8-10H,2-3,5-7H2,1H3
InChIKeyXSMRUPQYTZJFNZ-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.96
LogP ≤ 55.04
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

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4-bromo-2,3-dimethylheptane
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3,4-dibromohex-1-ene
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tert-butyl N-[(3S,4R,5S)-5-bromo-3-hydroxyoct-1-en-4-yl]carbamate
CID 23243726
5-bromo-N-methyloct-1-en-3-amine
CID 123321557
(2R,3R)-2-bromo-3-ethenylhexanoic acid
CID 5324950
2-bromopentanal;ethane
CID 145429561
azane;3-bromohexan-2-ol
CID 174944602
1-[(1Z)-buta-1,3-dienyl]-1-hex-1-en-3-ylhydrazine
CID 144683345
2-ethenylpentanal
CID 12590028

Frequently Asked Questions

What is the IUPAC name of 3,6,7-tribromodec-1-ene?
The IUPAC name of 3,6,7-tribromodec-1-ene (CID 57159132) is 3,6,7-tribromodec-1-ene.
What is the SMILES notation for 3,6,7-tribromodec-1-ene?
The canonical SMILES for 3,6,7-tribromodec-1-ene is C=CC(Br)CCC(Br)C(Br)CCC.
What is the InChIKey of 3,6,7-tribromodec-1-ene?
The InChIKey is XSMRUPQYTZJFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br3/c1-3-5-9(12)10(13)7-6-8(11)4-2/h4,8-10H,2-3,5-7H2,1H3.
What are the key properties of 3,6,7-tribromodec-1-ene?
3,6,7-tribromodec-1-ene has a molecular weight of 376.96 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-tribromodec-1-ene is sourced from PubChem (CID 57159132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).