1-chloro-2-(iodomethyl)-3-methylbut-2-ene

C6H10ClI — CID 88877933

IUPAC1-chloro-2-(iodomethyl)-3-methylbut-2-ene
SMILESCC(C)=C(CCl)CI
InChIInChI=1S/C6H10ClI/c1-5(2)6(3-7)4-8/h3-4H2,1-2H3
InChIKeyHLNCSNIRYQKVRB-UHFFFAOYSA-N
MW244.50 g/mol
LogP3.00
Rot. Bonds2

About 1-chloro-2-(iodomethyl)-3-methylbut-2-ene

1-chloro-2-(iodomethyl)-3-methylbut-2-ene (PubChem CID 88877933) has the molecular formula C6H10ClI and a molecular weight of 244.50 g/mol. Its IUPAC name is 1-chloro-2-(iodomethyl)-3-methylbut-2-ene.

Molecular Properties

Compound Name1-chloro-2-(iodomethyl)-3-methylbut-2-ene
PubChem CID88877933
Molecular FormulaC6H10ClI
Molecular Weight244.50 g/mol
Exact Mass243.95
IUPAC Name1-chloro-2-(iodomethyl)-3-methylbut-2-ene
SMILESCC(C)=C(CCl)CI
InChIInChI=1S/C6H10ClI/c1-5(2)6(3-7)4-8/h3-4H2,1-2H3
InChIKeyHLNCSNIRYQKVRB-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.50
LogP ≤ 53.00
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

1,4-dichloro-2,3-bis(chloromethyl)but-2-ene
CID 14530626
(E)-1-chloro-3-iodo-2-methylprop-1-ene
CID 122235667
azane;3-chloro-2-methylprop-1-ene
CID 88745979
acetic acid;2-chloroacetic acid
CID 87108271
(E)-1,2,3-trichlorobut-2-ene
CID 3035847
2,3-bis(iodomethyl)-4-methylpenta-1,3-diene
CID 155659813
(dichloromethane);methanol
CID 173151406
(dichloromethane);methanol
CID 173026294
(dichloromethane);methanol
CID 173499764
acetic acid;1-chloropropane
CID 162052108
(4-iodo-3-methylbut-2-en-2-yl)silane
CID 173207035
2-chloro-N-(3-methylbut-2-en-2-yl)acetamide
CID 20554727

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(iodomethyl)-3-methylbut-2-ene?
The IUPAC name of 1-chloro-2-(iodomethyl)-3-methylbut-2-ene (CID 88877933) is 1-chloro-2-(iodomethyl)-3-methylbut-2-ene.
What is the SMILES notation for 1-chloro-2-(iodomethyl)-3-methylbut-2-ene?
The canonical SMILES for 1-chloro-2-(iodomethyl)-3-methylbut-2-ene is CC(C)=C(CCl)CI.
What is the InChIKey of 1-chloro-2-(iodomethyl)-3-methylbut-2-ene?
The InChIKey is HLNCSNIRYQKVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClI/c1-5(2)6(3-7)4-8/h3-4H2,1-2H3.
What are the key properties of 1-chloro-2-(iodomethyl)-3-methylbut-2-ene?
1-chloro-2-(iodomethyl)-3-methylbut-2-ene has a molecular weight of 244.50 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(iodomethyl)-3-methylbut-2-ene is sourced from PubChem (CID 88877933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).