2,3-dimethylpent-2-ene;1,1,1-triiodoethane

C9H17I3 — CID 91544853

IUPAC2,3-dimethylpent-2-ene;1,1,1-triiodoethane
SMILESCC(I)(I)I.CCC(C)=C(C)C
InChIInChI=1S/C7H14.C2H3I3/c1-5-7(4)6(2)3;1-2(3,4)5/h5H2,1-4H3;1H3
InChIKeyUDUUSPWZYJFKIA-UHFFFAOYSA-N
MW505.95 g/mol
LogP5.72
Rot. Bonds1

About 2,3-dimethylpent-2-ene;1,1,1-triiodoethane

2,3-dimethylpent-2-ene;1,1,1-triiodoethane (PubChem CID 91544853) has the molecular formula C9H17I3 and a molecular weight of 505.95 g/mol. Its IUPAC name is 2,3-dimethylpent-2-ene;1,1,1-triiodoethane.

Molecular Properties

Compound Name2,3-dimethylpent-2-ene;1,1,1-triiodoethane
PubChem CID91544853
Molecular FormulaC9H17I3
Molecular Weight505.95 g/mol
Exact Mass505.85
IUPAC Name2,3-dimethylpent-2-ene;1,1,1-triiodoethane
SMILESCC(I)(I)I.CCC(C)=C(C)C
InChIInChI=1S/C7H14.C2H3I3/c1-5-7(4)6(2)3;1-2(3,4)5/h5H2,1-4H3;1H3
InChIKeyUDUUSPWZYJFKIA-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.95
LogP ≤ 55.72
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Iodo-5-(2-iodoethyl)oct-4-ene
CID 73118559
3-Ethyl-4-iodohex-3-ene
CID 86173719
(Z)-5-iodo-6-(2-iodoethyl)dec-5-ene
CID 10598197
(2Z,4Z)-2,5-diiodo-3,4-dimethylhexa-2,4-diene
CID 11013883
(3Z,5Z)-3,6-diiodo-2,2,4,5,7,7-hexamethylocta-3,5-diene
CID 12981007
5-Iodo-2,3-dimethylpent-2-ene
CID 10537081
3-Ethyl-1,4-diiodohex-3-ene
CID 74078641
(E)-4-ethyl-5-iodooct-4-ene
CID 11043689
(E)-4-iodo-5-methyloct-4-ene
CID 11172785
(Z)-4-iodo-5-(2-iodoethyl)oct-4-ene
CID 11825337
(Z)-3-ethyl-1,4-diiodohex-3-ene
CID 23649982
2-Iodo-3-methylpent-2-ene
CID 71423782

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpent-2-ene;1,1,1-triiodoethane?
The IUPAC name of 2,3-dimethylpent-2-ene;1,1,1-triiodoethane (CID 91544853) is 2,3-dimethylpent-2-ene;1,1,1-triiodoethane.
What is the SMILES notation for 2,3-dimethylpent-2-ene;1,1,1-triiodoethane?
The canonical SMILES for 2,3-dimethylpent-2-ene;1,1,1-triiodoethane is CC(I)(I)I.CCC(C)=C(C)C.
What is the InChIKey of 2,3-dimethylpent-2-ene;1,1,1-triiodoethane?
The InChIKey is UDUUSPWZYJFKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C2H3I3/c1-5-7(4)6(2)3;1-2(3,4)5/h5H2,1-4H3;1H3.
What are the key properties of 2,3-dimethylpent-2-ene;1,1,1-triiodoethane?
2,3-dimethylpent-2-ene;1,1,1-triiodoethane has a molecular weight of 505.95 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpent-2-ene;1,1,1-triiodoethane is sourced from PubChem (CID 91544853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).