(E)-1-iodo-7-methyloct-2-ene

C9H17I — CID 139749748

IUPAC(E)-1-iodo-7-methyloct-2-ene
SMILESCC(C)CCC/C=C/CI
InChIInChI=1S/C9H17I/c1-9(2)7-5-3-4-6-8-10/h4,6,9H,3,5,7-8H2,1-2H3/b6-4+
InChIKeyPONCUXQHBWJPLJ-GQCTYLIASA-N
MW252.14 g/mol
LogP3.80
Rot. Bonds5

About (E)-1-iodo-7-methyloct-2-ene

(E)-1-iodo-7-methyloct-2-ene (PubChem CID 139749748) has the molecular formula C9H17I and a molecular weight of 252.14 g/mol. Its IUPAC name is (E)-1-iodo-7-methyloct-2-ene.

Molecular Properties

Compound Name(E)-1-iodo-7-methyloct-2-ene
PubChem CID139749748
Molecular FormulaC9H17I
Molecular Weight252.14 g/mol
Exact Mass252.04
IUPAC Name(E)-1-iodo-7-methyloct-2-ene
SMILESCC(C)CCC/C=C/CI
InChIInChI=1S/C9H17I/c1-9(2)7-5-3-4-6-8-10/h4,6,9H,3,5,7-8H2,1-2H3/b6-4+
InChIKeyPONCUXQHBWJPLJ-GQCTYLIASA-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': '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'}

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Related Compounds

(E)-2,12-dimethyltridec-6-ene
CID 176630963
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
8-methylnon-3-ene
CID 54424784
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-8-methylnon-3-en-1-ol
CID 88790350
(E)-2,11-dimethyldodec-5-ene
CID 168834978
(E)-2,2,9-trimethyldec-4-ene
CID 176646418
2,11-dimethyltridec-6-ene
CID 123657363

Frequently Asked Questions

What is the IUPAC name of (E)-1-iodo-7-methyloct-2-ene?
The IUPAC name of (E)-1-iodo-7-methyloct-2-ene (CID 139749748) is (E)-1-iodo-7-methyloct-2-ene.
What is the SMILES notation for (E)-1-iodo-7-methyloct-2-ene?
The canonical SMILES for (E)-1-iodo-7-methyloct-2-ene is CC(C)CCC/C=C/CI.
What is the InChIKey of (E)-1-iodo-7-methyloct-2-ene?
The InChIKey is PONCUXQHBWJPLJ-GQCTYLIASA-N. The full InChI is InChI=1S/C9H17I/c1-9(2)7-5-3-4-6-8-10/h4,6,9H,3,5,7-8H2,1-2H3/b6-4+.
What are the key properties of (E)-1-iodo-7-methyloct-2-ene?
(E)-1-iodo-7-methyloct-2-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 (E)-1-iodo-7-methyloct-2-ene is sourced from PubChem (CID 139749748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).