(E)-9-iododec-2-ene

C10H19I — CID 22171957

IUPAC(E)-9-iododec-2-ene
SMILESC/C=C/CCCCCC(C)I
InChIInChI=1S/C10H19I/c1-3-4-5-6-7-8-9-10(2)11/h3-4,10H,5-9H2,1-2H3/b4-3+
InChIKeyMLZAQMUUYKZUPP-ONEGZZNKSA-N
MW266.17 g/mol
LogP4.34
Rot. Bonds6

About (E)-9-iododec-2-ene

(E)-9-iododec-2-ene (PubChem CID 22171957) has the molecular formula C10H19I and a molecular weight of 266.17 g/mol. Its IUPAC name is (E)-9-iododec-2-ene.

Molecular Properties

Compound Name(E)-9-iododec-2-ene
PubChem CID22171957
Molecular FormulaC10H19I
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name(E)-9-iododec-2-ene
SMILESC/C=C/CCCCCC(C)I
InChIInChI=1S/C10H19I/c1-3-4-5-6-7-8-9-10(2)11/h3-4,10H,5-9H2,1-2H3/b4-3+
InChIKeyMLZAQMUUYKZUPP-ONEGZZNKSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 54.34
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)-11-methyldodec-2-ene
CID 134687647
(E)-9-fluorodec-2-ene
CID 22172002
(E)-non-7-en-2-ol
CID 14615052
hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
icosa-2,10,18-triene
CID 74063823
(2Z,5Z)-12-methyltrideca-2,5-diene
CID 171755800
2-methyldec-8-en-1-ol
CID 151918594
(E)-19-methyltricos-2-ene
CID 173194552
(2E,16E,23E,37E)-20-propan-2-ylnonatriaconta-2,16,23,37-tetraene
CID 177270034
(2E,14E,21E,33E)-18-propan-2-ylpentatriaconta-2,14,21,33-tetraene
CID 177270133
8-methyltridec-2-ene
CID 154258032

Frequently Asked Questions

What is the IUPAC name of (E)-9-iododec-2-ene?
The IUPAC name of (E)-9-iododec-2-ene (CID 22171957) is (E)-9-iododec-2-ene.
What is the SMILES notation for (E)-9-iododec-2-ene?
The canonical SMILES for (E)-9-iododec-2-ene is C/C=C/CCCCCC(C)I.
What is the InChIKey of (E)-9-iododec-2-ene?
The InChIKey is MLZAQMUUYKZUPP-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H19I/c1-3-4-5-6-7-8-9-10(2)11/h3-4,10H,5-9H2,1-2H3/b4-3+.
What are the key properties of (E)-9-iododec-2-ene?
(E)-9-iododec-2-ene has a molecular weight of 266.17 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-iododec-2-ene is sourced from PubChem (CID 22171957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).