(2Z,4Z)-1-iodo-2,3,5-trimethylhepta-2,4-diene

C10H17I — CID 89170172

IUPAC(2Z,4Z)-1-iodo-2,3,5-trimethylhepta-2,4-diene
SMILESCC/C(C)=C\C(C)=C(\C)CI
InChIInChI=1S/C10H17I/c1-5-8(2)6-9(3)10(4)7-11/h6H,5,7H2,1-4H3/b8-6-,10-9-
InChIKeyACSRWMUPNOJYMU-VAOAJWRNSA-N
MW264.15 g/mol
LogP4.11
Rot. Bonds3

About (2Z,4Z)-1-iodo-2,3,5-trimethylhepta-2,4-diene

(2Z,4Z)-1-iodo-2,3,5-trimethylhepta-2,4-diene (PubChem CID 89170172) has the molecular formula C10H17I and a molecular weight of 264.15 g/mol. Its IUPAC name is (2Z,4Z)-1-iodo-2,3,5-trimethylhepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-1-iodo-2,3,5-trimethylhepta-2,4-diene
PubChem CID89170172
Molecular FormulaC10H17I
Molecular Weight264.15 g/mol
Exact Mass264.04
IUPAC Name(2Z,4Z)-1-iodo-2,3,5-trimethylhepta-2,4-diene
SMILESCC/C(C)=C\C(C)=C(\C)CI
InChIInChI=1S/C10H17I/c1-5-8(2)6-9(3)10(4)7-11/h6H,5,7H2,1-4H3/b8-6-,10-9-
InChIKeyACSRWMUPNOJYMU-VAOAJWRNSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 54.11
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1-iodo-2,3,5-trimethylhepta-2,4-diene?
The IUPAC name of (2Z,4Z)-1-iodo-2,3,5-trimethylhepta-2,4-diene (CID 89170172) is (2Z,4Z)-1-iodo-2,3,5-trimethylhepta-2,4-diene.
What is the SMILES notation for (2Z,4Z)-1-iodo-2,3,5-trimethylhepta-2,4-diene?
The canonical SMILES for (2Z,4Z)-1-iodo-2,3,5-trimethylhepta-2,4-diene is CC/C(C)=C\C(C)=C(\C)CI.
What is the InChIKey of (2Z,4Z)-1-iodo-2,3,5-trimethylhepta-2,4-diene?
The InChIKey is ACSRWMUPNOJYMU-VAOAJWRNSA-N. The full InChI is InChI=1S/C10H17I/c1-5-8(2)6-9(3)10(4)7-11/h6H,5,7H2,1-4H3/b8-6-,10-9-.
What are the key properties of (2Z,4Z)-1-iodo-2,3,5-trimethylhepta-2,4-diene?
(2Z,4Z)-1-iodo-2,3,5-trimethylhepta-2,4-diene has a molecular weight of 264.15 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1-iodo-2,3,5-trimethylhepta-2,4-diene is sourced from PubChem (CID 89170172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).