6-iodo-7,7-dimethyloct-1-ene

C10H19I — CID 14938181

IUPAC6-iodo-7,7-dimethyloct-1-ene
SMILESC=CCCCC(I)C(C)(C)C
InChIInChI=1S/C10H19I/c1-5-6-7-8-9(11)10(2,3)4/h5,9H,1,6-8H2,2-4H3
InChIKeyIFGGCPLPYSNSOU-UHFFFAOYSA-N
MW266.17 g/mol
LogP4.19
Rot. Bonds4

About 6-iodo-7,7-dimethyloct-1-ene

6-iodo-7,7-dimethyloct-1-ene (PubChem CID 14938181) has the molecular formula C10H19I and a molecular weight of 266.17 g/mol. Its IUPAC name is 6-iodo-7,7-dimethyloct-1-ene.

Molecular Properties

Compound Name6-iodo-7,7-dimethyloct-1-ene
PubChem CID14938181
Molecular FormulaC10H19I
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name6-iodo-7,7-dimethyloct-1-ene
SMILESC=CCCCC(I)C(C)(C)C
InChIInChI=1S/C10H19I/c1-5-6-7-8-9(11)10(2,3)4/h5,9H,1,6-8H2,2-4H3
InChIKeyIFGGCPLPYSNSOU-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 54.19
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-iodo-7,7-dimethyloct-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

6-(bromomethyl)-7,7-dimethyloct-1-ene
CID 165446936
6,8,8-trimethylnon-1-ene
CID 55273877
15,16,16-trimethylheptadec-1-ene
CID 174505406
2-(diethylamino)-2-methyloct-7-en-3-ol
CID 79054242
6-bromohept-1-ene
CID 12722403
(3-methoxy-2,2-dimethylnon-8-en-4-yl)hydrazine
CID 105273329
12-propan-2-yltricosa-1,22-diene
CID 102161324
3,3-dimethylnon-8-en-4-ylhydrazine
CID 105311424
6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene
CID 176971023
13-pent-4-enylheptacosa-1,26-diene
CID 91232021
7,7,10-trimethylundec-1-ene
CID 173422023
CID 156745698
CID 156745698

Frequently Asked Questions

What is the IUPAC name of 6-iodo-7,7-dimethyloct-1-ene?
The IUPAC name of 6-iodo-7,7-dimethyloct-1-ene (CID 14938181) is 6-iodo-7,7-dimethyloct-1-ene.
What is the SMILES notation for 6-iodo-7,7-dimethyloct-1-ene?
The canonical SMILES for 6-iodo-7,7-dimethyloct-1-ene is C=CCCCC(I)C(C)(C)C.
What is the InChIKey of 6-iodo-7,7-dimethyloct-1-ene?
The InChIKey is IFGGCPLPYSNSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19I/c1-5-6-7-8-9(11)10(2,3)4/h5,9H,1,6-8H2,2-4H3.
What are the key properties of 6-iodo-7,7-dimethyloct-1-ene?
6-iodo-7,7-dimethyloct-1-ene has a molecular weight of 266.17 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-7,7-dimethyloct-1-ene is sourced from PubChem (CID 14938181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).