7-bromo-2-methylhept-2-ene

C8H15Br — CID 13091948

IUPAC7-bromo-2-methylhept-2-ene
SMILESCC(C)=CCCCCBr
InChIInChI=1S/C8H15Br/c1-8(2)6-4-3-5-7-9/h6H,3-5,7H2,1-2H3
InChIKeyIVWSRGNSKXGNQU-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.52
Rot. Bonds4

About 7-bromo-2-methylhept-2-ene

7-bromo-2-methylhept-2-ene (PubChem CID 13091948) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 7-bromo-2-methylhept-2-ene.

Molecular Properties

Compound Name7-bromo-2-methylhept-2-ene
PubChem CID13091948
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name7-bromo-2-methylhept-2-ene
SMILESCC(C)=CCCCCBr
InChIInChI=1S/C8H15Br/c1-8(2)6-4-3-5-7-9/h6H,3-5,7H2,1-2H3
InChIKeyIVWSRGNSKXGNQU-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-2-methyl-2-pentene
CID 137521
2,6-Octadiene, 1-bromo-3,7-dimethyl-, (2E)-
CID 5365867
(2E,6E)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene
CID 5366048
4-Nonene, 1-bromo-, (Z)-
CID 5364487
3-Octene, 1-bromo-, (3E)-
CID 6437045
3-Octene, 1-bromo-, (3Z)-
CID 6437046
Farnesyl bromide
CID 550199
1-(Bromomethyl)cyclopent-1-ene
CID 11073725
1-Bromo-4-methylhex-3-ene
CID 53395414
6-Bromo-2-methylhex-2-ene
CID 13638116
5-Decene, 1-bromo-, (Z)-
CID 5364499
(E)-5-bromo-3-methyl-pent-2-ene
CID 11744952

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methylhept-2-ene?
The IUPAC name of 7-bromo-2-methylhept-2-ene (CID 13091948) is 7-bromo-2-methylhept-2-ene.
What is the SMILES notation for 7-bromo-2-methylhept-2-ene?
The canonical SMILES for 7-bromo-2-methylhept-2-ene is CC(C)=CCCCCBr.
What is the InChIKey of 7-bromo-2-methylhept-2-ene?
The InChIKey is IVWSRGNSKXGNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-8(2)6-4-3-5-7-9/h6H,3-5,7H2,1-2H3.
What are the key properties of 7-bromo-2-methylhept-2-ene?
7-bromo-2-methylhept-2-ene has a molecular weight of 191.11 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methylhept-2-ene is sourced from PubChem (CID 13091948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).