1-bromo-6-methylhept-3-ene

C8H15Br — CID 79006953

IUPAC1-bromo-6-methylhept-3-ene
SMILESCC(C)CC=CCCBr
InChIInChI=1S/C8H15Br/c1-8(2)6-4-3-5-7-9/h3-4,8H,5-7H2,1-2H3
InChIKeyPKFPXORYPNVQQP-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.37
Rot. Bonds4

About 1-bromo-6-methylhept-3-ene

1-bromo-6-methylhept-3-ene (PubChem CID 79006953) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 1-bromo-6-methylhept-3-ene.

Molecular Properties

Compound Name1-bromo-6-methylhept-3-ene
PubChem CID79006953
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name1-bromo-6-methylhept-3-ene
SMILESCC(C)CC=CCCBr
InChIInChI=1S/C8H15Br/c1-8(2)6-4-3-5-7-9/h3-4,8H,5-7H2,1-2H3
InChIKeyPKFPXORYPNVQQP-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.37
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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8-methylnona-1,5-diene
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(E)-2-methyldec-4-ene
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ethane;(E)-5-methylhex-2-ene
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2,13-dimethyltetradec-4-ene
CID 139930710
(E)-1-bromo-3,7-dimethyloct-4-ene
CID 13192474
(4E,14E)-2-methylnonadeca-4,14-diene
CID 177270218
3,9-dimethyldeca-1,6-diene
CID 173018442
2-methyldodeca-4,7-diene
CID 123659021
5-methylhex-2-en-1-ol
CID 12538351
8-methylnona-1,5-diene;2-methylprop-1-ene
CID 173298827

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-methylhept-3-ene?
The IUPAC name of 1-bromo-6-methylhept-3-ene (CID 79006953) is 1-bromo-6-methylhept-3-ene.
What is the SMILES notation for 1-bromo-6-methylhept-3-ene?
The canonical SMILES for 1-bromo-6-methylhept-3-ene is CC(C)CC=CCCBr.
What is the InChIKey of 1-bromo-6-methylhept-3-ene?
The InChIKey is PKFPXORYPNVQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-8(2)6-4-3-5-7-9/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 1-bromo-6-methylhept-3-ene?
1-bromo-6-methylhept-3-ene has a molecular weight of 191.11 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-methylhept-3-ene is sourced from PubChem (CID 79006953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).