ethene;molecular iodine;2,3,4-trimethylpenta-1,3-diene

C10H18I2 — CID 143098183

IUPACethene;molecular iodine;2,3,4-trimethylpenta-1,3-diene
SMILESC=C.C=C(C)C(C)=C(C)C.II
InChIInChI=1S/C8H14.C2H4.I2/c1-6(2)8(5)7(3)4;2*1-2/h1H2,2-5H3;1-2H2;
InChIKeyUSJOGMJOOLIPSN-UHFFFAOYSA-N
MW392.06 g/mol
LogP5.49
Rot. Bonds1

About ethene;molecular iodine;2,3,4-trimethylpenta-1,3-diene

ethene;molecular iodine;2,3,4-trimethylpenta-1,3-diene (PubChem CID 143098183) has the molecular formula C10H18I2 and a molecular weight of 392.06 g/mol. Its IUPAC name is ethene;molecular iodine;2,3,4-trimethylpenta-1,3-diene.

Molecular Properties

Compound Nameethene;molecular iodine;2,3,4-trimethylpenta-1,3-diene
PubChem CID143098183
Molecular FormulaC10H18I2
Molecular Weight392.06 g/mol
Exact Mass391.95
IUPAC Nameethene;molecular iodine;2,3,4-trimethylpenta-1,3-diene
SMILESC=C.C=C(C)C(C)=C(C)C.II
InChIInChI=1S/C8H14.C2H4.I2/c1-6(2)8(5)7(3)4;2*1-2/h1H2,2-5H3;1-2H2;
InChIKeyUSJOGMJOOLIPSN-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.06
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trans-Alloocimene
CID 5368821
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
2,6-Dimethylocta-2,4,6-triene
CID 12658
Dimethylhexadiene
CID 6365525
Ocimene
CID 6434062
Alloocimene, (4E,6Z)-
CID 5371125
Artemisia triene
CID 5320377
Cosmene
CID 5368451
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene
CID 14656044
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene
CID 14656047

Frequently Asked Questions

What is the IUPAC name of ethene;molecular iodine;2,3,4-trimethylpenta-1,3-diene?
The IUPAC name of ethene;molecular iodine;2,3,4-trimethylpenta-1,3-diene (CID 143098183) is ethene;molecular iodine;2,3,4-trimethylpenta-1,3-diene.
What is the SMILES notation for ethene;molecular iodine;2,3,4-trimethylpenta-1,3-diene?
The canonical SMILES for ethene;molecular iodine;2,3,4-trimethylpenta-1,3-diene is C=C.C=C(C)C(C)=C(C)C.II.
What is the InChIKey of ethene;molecular iodine;2,3,4-trimethylpenta-1,3-diene?
The InChIKey is USJOGMJOOLIPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C2H4.I2/c1-6(2)8(5)7(3)4;2*1-2/h1H2,2-5H3;1-2H2;.
What are the key properties of ethene;molecular iodine;2,3,4-trimethylpenta-1,3-diene?
ethene;molecular iodine;2,3,4-trimethylpenta-1,3-diene has a molecular weight of 392.06 g/mol, XLogP of 5.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;molecular iodine;2,3,4-trimethylpenta-1,3-diene is sourced from PubChem (CID 143098183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).