7-bromo-2,3,3-trimethylhept-1-ene

C10H19Br — CID 15049544

IUPAC7-bromo-2,3,3-trimethylhept-1-ene
SMILESC=C(C)C(C)(C)CCCCBr
InChIInChI=1S/C10H19Br/c1-9(2)10(3,4)7-5-6-8-11/h1,5-8H2,2-4H3
InChIKeyIEBGSWBWELIENA-UHFFFAOYSA-N
MW219.17 g/mol
LogP4.15
Rot. Bonds5

About 7-bromo-2,3,3-trimethylhept-1-ene

7-bromo-2,3,3-trimethylhept-1-ene (PubChem CID 15049544) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 7-bromo-2,3,3-trimethylhept-1-ene.

Molecular Properties

Compound Name7-bromo-2,3,3-trimethylhept-1-ene
PubChem CID15049544
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name7-bromo-2,3,3-trimethylhept-1-ene
SMILESC=C(C)C(C)(C)CCCCBr
InChIInChI=1S/C10H19Br/c1-9(2)10(3,4)7-5-6-8-11/h1,5-8H2,2-4H3
InChIKeyIEBGSWBWELIENA-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 54.15
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'}

Analyze 7-bromo-2,3,3-trimethylhept-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Bromomethyl)-4,4-dimethylpent-1-ene
CID 13485238
1-(3-Bromopropyl)-1-methyl-2-methylidenecyclohexane
CID 15664561
6-Bromo-2,3,3-trimethyl-1-hexene
CID 15049545
(6R)-8-bromo-2,6-dimethyloct-1-ene
CID 95240088
4-(Bromomethyl)-4-propylhept-1-ene
CID 125492204
9-Bromo-2,6-dimethylnon-1-ene
CID 129749791
5-(Bromomethyl)-5-propylocta-1,2-diene
CID 168009126
3-Bromo-2,4,4-trimethylpent-1-ene
CID 13485237
1-Bromo-5,5-dimethyl-4-methylidenehexane
CID 13638120
8-Bromo-6,6-dimethyloct-1-ene
CID 85790586
4-Bromo-2,3,5,5-tetramethylhex-1-ene
CID 129987900
9-Bromo-6,6-dimethylnon-1-ene
CID 170848048

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,3,3-trimethylhept-1-ene?
The IUPAC name of 7-bromo-2,3,3-trimethylhept-1-ene (CID 15049544) is 7-bromo-2,3,3-trimethylhept-1-ene.
What is the SMILES notation for 7-bromo-2,3,3-trimethylhept-1-ene?
The canonical SMILES for 7-bromo-2,3,3-trimethylhept-1-ene is C=C(C)C(C)(C)CCCCBr.
What is the InChIKey of 7-bromo-2,3,3-trimethylhept-1-ene?
The InChIKey is IEBGSWBWELIENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-9(2)10(3,4)7-5-6-8-11/h1,5-8H2,2-4H3.
What are the key properties of 7-bromo-2,3,3-trimethylhept-1-ene?
7-bromo-2,3,3-trimethylhept-1-ene has a molecular weight of 219.17 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,3,3-trimethylhept-1-ene is sourced from PubChem (CID 15049544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).