7-iodo-2,6-dimethylhept-1-ene

C9H17I — CID 138692615

IUPAC7-iodo-2,6-dimethylhept-1-ene
SMILESC=C(C)CCCC(C)CI
InChIInChI=1S/C9H17I/c1-8(2)5-4-6-9(3)7-10/h9H,1,4-7H2,2-3H3
InChIKeyNCIXKPFEPBQOOT-UHFFFAOYSA-N
MW252.14 g/mol
LogP3.80
Rot. Bonds5

About 7-iodo-2,6-dimethylhept-1-ene

7-iodo-2,6-dimethylhept-1-ene (PubChem CID 138692615) has the molecular formula C9H17I and a molecular weight of 252.14 g/mol. Its IUPAC name is 7-iodo-2,6-dimethylhept-1-ene.

Molecular Properties

Compound Name7-iodo-2,6-dimethylhept-1-ene
PubChem CID138692615
Molecular FormulaC9H17I
Molecular Weight252.14 g/mol
Exact Mass252.04
IUPAC Name7-iodo-2,6-dimethylhept-1-ene
SMILESC=C(C)CCCC(C)CI
InChIInChI=1S/C9H17I/c1-8(2)5-4-6-9(3)7-10/h9H,1,4-7H2,2-3H3
InChIKeyNCIXKPFEPBQOOT-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-2,6-dimethylhept-1-ene
CID 114477377
2,7-dimethylnon-1-ene
CID 123682074
N,2,6-trimethylhept-6-en-1-amine
CID 114477309
(3S,5S)-5,9-dimethyldec-9-en-3-ol
CID 92860070
(3R)-2,7-dimethyloct-7-en-3-ol
CID 124511716
2,7-dimethyloct-7-en-3-ol
CID 79185633
2,11-dimethylnonadec-1-ene
CID 123484198
(2S)-2,6-dimethylhept-6-enoic acid
CID 57381237
3,7-dimethyl-2-methylideneoct-7-enal
CID 138692608
2,3,8-trimethylnona-1,8-diene
CID 155711646
2,14-dimethylpentadeca-1,14-diene
CID 123962057
2,7-dimethylocta-1,7-diene;hydron
CID 174323451

Frequently Asked Questions

What is the IUPAC name of 7-iodo-2,6-dimethylhept-1-ene?
The IUPAC name of 7-iodo-2,6-dimethylhept-1-ene (CID 138692615) is 7-iodo-2,6-dimethylhept-1-ene.
What is the SMILES notation for 7-iodo-2,6-dimethylhept-1-ene?
The canonical SMILES for 7-iodo-2,6-dimethylhept-1-ene is C=C(C)CCCC(C)CI.
What is the InChIKey of 7-iodo-2,6-dimethylhept-1-ene?
The InChIKey is NCIXKPFEPBQOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17I/c1-8(2)5-4-6-9(3)7-10/h9H,1,4-7H2,2-3H3.
What are the key properties of 7-iodo-2,6-dimethylhept-1-ene?
7-iodo-2,6-dimethylhept-1-ene has a molecular weight of 252.14 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2,6-dimethylhept-1-ene is sourced from PubChem (CID 138692615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).