6-bromo-3,3-dimethylhex-1-ene

C8H15Br — CID 13119656

IUPAC6-bromo-3,3-dimethylhex-1-ene
SMILESC=CC(C)(C)CCCBr
InChIInChI=1S/C8H15Br/c1-4-8(2,3)6-5-7-9/h4H,1,5-7H2,2-3H3
InChIKeyGVDZTENNHCCGOO-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.37
Rot. Bonds4

About 6-bromo-3,3-dimethylhex-1-ene

6-bromo-3,3-dimethylhex-1-ene (PubChem CID 13119656) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 6-bromo-3,3-dimethylhex-1-ene.

Molecular Properties

Compound Name6-bromo-3,3-dimethylhex-1-ene
PubChem CID13119656
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name6-bromo-3,3-dimethylhex-1-ene
SMILESC=CC(C)(C)CCCBr
InChIInChI=1S/C8H15Br/c1-4-8(2,3)6-5-7-9/h4H,1,5-7H2,2-3H3
InChIKeyGVDZTENNHCCGOO-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

5-Bromo-4,4-dimethylpent-1-ene
CID 543679
1-Hexene, 6-bromo-5,5-dimethyl-
CID 10330181
2-(Bromomethyl)-4,4-dimethylpent-1-ene
CID 13485238
4-(Bromomethyl)-4-methylhex-1-ene
CID 126986663
1-(Bromomethyl)-1-ethenylcyclobutane
CID 137945418
4-(Bromomethyl)-4-propylhept-1-ene
CID 125492204
6-Bromo-4,4-dimethylhex-1-ene
CID 13119654
3-(Bromomethyl)-5-methylhex-1-ene
CID 42599682
8-Bromo-6,6-dimethyloct-1-ene
CID 85790586
3-(Bromomethyl)-7,7-difluoro-3-methylhept-1-ene
CID 165442739
3-(Bromomethyl)-5,5-difluoro-3-methylhex-1-ene
CID 165443013
3-(Bromomethyl)-5,5-difluoro-3-methylhept-1-ene
CID 165792726

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,3-dimethylhex-1-ene?
The IUPAC name of 6-bromo-3,3-dimethylhex-1-ene (CID 13119656) is 6-bromo-3,3-dimethylhex-1-ene.
What is the SMILES notation for 6-bromo-3,3-dimethylhex-1-ene?
The canonical SMILES for 6-bromo-3,3-dimethylhex-1-ene is C=CC(C)(C)CCCBr.
What is the InChIKey of 6-bromo-3,3-dimethylhex-1-ene?
The InChIKey is GVDZTENNHCCGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-4-8(2,3)6-5-7-9/h4H,1,5-7H2,2-3H3.
What are the key properties of 6-bromo-3,3-dimethylhex-1-ene?
6-bromo-3,3-dimethylhex-1-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 6-bromo-3,3-dimethylhex-1-ene is sourced from PubChem (CID 13119656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).