1-bromo-3,7-dimethylocta-1,6-diene

C10H17Br — CID 154265835

IUPAC1-bromo-3,7-dimethylocta-1,6-diene
SMILESCC(C)=CCCC(C)C=CBr
InChIInChI=1S/C10H17Br/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8,10H,4,6H2,1-3H3
InChIKeyFLMHWDCHCOMUPL-UHFFFAOYSA-N
MW217.15 g/mol
LogP4.28
Rot. Bonds4

About 1-bromo-3,7-dimethylocta-1,6-diene

1-bromo-3,7-dimethylocta-1,6-diene (PubChem CID 154265835) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is 1-bromo-3,7-dimethylocta-1,6-diene.

Molecular Properties

Compound Name1-bromo-3,7-dimethylocta-1,6-diene
PubChem CID154265835
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name1-bromo-3,7-dimethylocta-1,6-diene
SMILESCC(C)=CCCC(C)C=CBr
InChIInChI=1S/C10H17Br/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8,10H,4,6H2,1-3H3
InChIKeyFLMHWDCHCOMUPL-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-4,8-dimethylnona-2,7-dienenitrile
CID 24972380
2,6-dimethylhept-5-enal
CID 158364508
(1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine
CID 11042011
(10S)-2,6,10-trimethyltrideca-2,6,11-triene
CID 57030104
(6E,11E)-2,6,10-trimethyltrideca-2,6,11-triene
CID 148658393
methyl 5,9-dimethyldeca-3,8-dienoate
CID 71334771
ethyl (2E)-4,8-dimethylnona-2,7-dienoate
CID 11830711
(3E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-one
CID 91460202
(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106
(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
CID 131736485
2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol
CID 175173281
1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene
CID 123175625

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,7-dimethylocta-1,6-diene?
The IUPAC name of 1-bromo-3,7-dimethylocta-1,6-diene (CID 154265835) is 1-bromo-3,7-dimethylocta-1,6-diene.
What is the SMILES notation for 1-bromo-3,7-dimethylocta-1,6-diene?
The canonical SMILES for 1-bromo-3,7-dimethylocta-1,6-diene is CC(C)=CCCC(C)C=CBr.
What is the InChIKey of 1-bromo-3,7-dimethylocta-1,6-diene?
The InChIKey is FLMHWDCHCOMUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8,10H,4,6H2,1-3H3.
What are the key properties of 1-bromo-3,7-dimethylocta-1,6-diene?
1-bromo-3,7-dimethylocta-1,6-diene has a molecular weight of 217.15 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,7-dimethylocta-1,6-diene is sourced from PubChem (CID 154265835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).