(E)-1-iodo-2-methylhept-1-ene

C8H15I — CID 11276445

IUPAC(E)-1-iodo-2-methylhept-1-ene
SMILESCCCCC/C(C)=C/I
InChIInChI=1S/C8H15I/c1-3-4-5-6-8(2)7-9/h7H,3-6H2,1-2H3/b8-7+
InChIKeyJESWHWGMIPMAAA-BQYQJAHWSA-N
MW238.11 g/mol
LogP3.91
Rot. Bonds4

About (E)-1-iodo-2-methylhept-1-ene

(E)-1-iodo-2-methylhept-1-ene (PubChem CID 11276445) has the molecular formula C8H15I and a molecular weight of 238.11 g/mol. Its IUPAC name is (E)-1-iodo-2-methylhept-1-ene.

Molecular Properties

Compound Name(E)-1-iodo-2-methylhept-1-ene
PubChem CID11276445
Molecular FormulaC8H15I
Molecular Weight238.11 g/mol
Exact Mass238.02
IUPAC Name(E)-1-iodo-2-methylhept-1-ene
SMILESCCCCC/C(C)=C/I
InChIInChI=1S/C8H15I/c1-3-4-5-6-8(2)7-9/h7H,3-6H2,1-2H3/b8-7+
InChIKeyJESWHWGMIPMAAA-BQYQJAHWSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-Iodo-1-octene
CID 11118103
(Z)-1-Iodo-oct-1-ene
CID 10944471
6-Iodooct-1-ene
CID 86175599
1-Pentene, 5-iodo-2-methyl-
CID 10375813
(E)-1-iodo-2-methyloct-1-ene
CID 10705935
1-Iodo-5-methylidenenonane
CID 86167083
3-Iodooct-1-ene
CID 12130280
(E)-1-iodo-2-methylhex-1-ene
CID 12542067
(Z)-1-iodo-2-methylhex-1-ene
CID 12542068
2-Iodo-1-octene
CID 12921471
1-Iodo-oct-1-ene
CID 54309615
(Z)-1-iodo-2-ethylpent-1-ene
CID 117640449

Frequently Asked Questions

What is the IUPAC name of (E)-1-iodo-2-methylhept-1-ene?
The IUPAC name of (E)-1-iodo-2-methylhept-1-ene (CID 11276445) is (E)-1-iodo-2-methylhept-1-ene.
What is the SMILES notation for (E)-1-iodo-2-methylhept-1-ene?
The canonical SMILES for (E)-1-iodo-2-methylhept-1-ene is CCCCC/C(C)=C/I.
What is the InChIKey of (E)-1-iodo-2-methylhept-1-ene?
The InChIKey is JESWHWGMIPMAAA-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H15I/c1-3-4-5-6-8(2)7-9/h7H,3-6H2,1-2H3/b8-7+.
What are the key properties of (E)-1-iodo-2-methylhept-1-ene?
(E)-1-iodo-2-methylhept-1-ene has a molecular weight of 238.11 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iodo-2-methylhept-1-ene is sourced from PubChem (CID 11276445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).