7-bromo-3,6-dimethylhept-3-ene

C9H17Br — CID 54367559

IUPAC7-bromo-3,6-dimethylhept-3-ene
SMILESCCC(C)=CCC(C)CBr
InChIInChI=1S/C9H17Br/c1-4-8(2)5-6-9(3)7-10/h5,9H,4,6-7H2,1-3H3
InChIKeyUQVFMRUGYCYIHR-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.76
Rot. Bonds4

About 7-bromo-3,6-dimethylhept-3-ene

7-bromo-3,6-dimethylhept-3-ene (PubChem CID 54367559) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 7-bromo-3,6-dimethylhept-3-ene.

Molecular Properties

Compound Name7-bromo-3,6-dimethylhept-3-ene
PubChem CID54367559
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name7-bromo-3,6-dimethylhept-3-ene
SMILESCCC(C)=CCC(C)CBr
InChIInChI=1S/C9H17Br/c1-4-8(2)5-6-9(3)7-10/h5,9H,4,6-7H2,1-3H3
InChIKeyUQVFMRUGYCYIHR-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 53.76
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

(Z)-5-methylhept-4-en-2-amine
CID 143746463
(E)-3,6,7-trimethyloct-3-ene
CID 167475963
3,6,7-trimethyldec-3-ene
CID 123818084
(E)-2,5-dimethylhept-2-en-1-ol
CID 88722720
(Z)-4,7-dimethylnon-4-ene
CID 143531390
2,5-dimethylhept-2-ene;ethane
CID 144650208
ethane;(E)-3-methylpent-2-en-1-amine
CID 143325002
2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane
CID 170712386
(Z,3S)-3,7-dimethylnon-6-en-1-ol
CID 156871638
(E)-5-methyl-2-prop-1-en-2-ylhept-4-en-1-ol
CID 122678118
3,7,10-trimethylundec-3-ene
CID 91082560
methane;(E)-3-methylhex-3-ene
CID 157350431

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,6-dimethylhept-3-ene?
The IUPAC name of 7-bromo-3,6-dimethylhept-3-ene (CID 54367559) is 7-bromo-3,6-dimethylhept-3-ene.
What is the SMILES notation for 7-bromo-3,6-dimethylhept-3-ene?
The canonical SMILES for 7-bromo-3,6-dimethylhept-3-ene is CCC(C)=CCC(C)CBr.
What is the InChIKey of 7-bromo-3,6-dimethylhept-3-ene?
The InChIKey is UQVFMRUGYCYIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c1-4-8(2)5-6-9(3)7-10/h5,9H,4,6-7H2,1-3H3.
What are the key properties of 7-bromo-3,6-dimethylhept-3-ene?
7-bromo-3,6-dimethylhept-3-ene has a molecular weight of 205.14 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,6-dimethylhept-3-ene is sourced from PubChem (CID 54367559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).