(1-bromo-5-methylhex-5-enyl)cyclopropane

C10H17Br — CID 79185001

IUPAC(1-bromo-5-methylhex-5-enyl)cyclopropane
SMILESC=C(C)CCCC(Br)C1CC1
InChIInChI=1S/C10H17Br/c1-8(2)4-3-5-10(11)9-6-7-9/h9-10H,1,3-7H2,2H3
InChIKeyIVYMADICOXLFTP-UHFFFAOYSA-N
MW217.15 g/mol
LogP3.91
Rot. Bonds5

About (1-bromo-5-methylhex-5-enyl)cyclopropane

(1-bromo-5-methylhex-5-enyl)cyclopropane (PubChem CID 79185001) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is (1-bromo-5-methylhex-5-enyl)cyclopropane.

Molecular Properties

Compound Name(1-bromo-5-methylhex-5-enyl)cyclopropane
PubChem CID79185001
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name(1-bromo-5-methylhex-5-enyl)cyclopropane
SMILESC=C(C)CCCC(Br)C1CC1
InChIInChI=1S/C10H17Br/c1-8(2)4-3-5-10(11)9-6-7-9/h9-10H,1,3-7H2,2H3
InChIKeyIVYMADICOXLFTP-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.91
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'}

Analyze (1-bromo-5-methylhex-5-enyl)cyclopropane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-bromo-5-methylhex-5-enyl)cyclopropane?
The IUPAC name of (1-bromo-5-methylhex-5-enyl)cyclopropane (CID 79185001) is (1-bromo-5-methylhex-5-enyl)cyclopropane.
What is the SMILES notation for (1-bromo-5-methylhex-5-enyl)cyclopropane?
The canonical SMILES for (1-bromo-5-methylhex-5-enyl)cyclopropane is C=C(C)CCCC(Br)C1CC1.
What is the InChIKey of (1-bromo-5-methylhex-5-enyl)cyclopropane?
The InChIKey is IVYMADICOXLFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c1-8(2)4-3-5-10(11)9-6-7-9/h9-10H,1,3-7H2,2H3.
What are the key properties of (1-bromo-5-methylhex-5-enyl)cyclopropane?
(1-bromo-5-methylhex-5-enyl)cyclopropane has a molecular weight of 217.15 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-5-methylhex-5-enyl)cyclopropane is sourced from PubChem (CID 79185001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).