2,3-dichloro-3-methylbut-1-ene

C5H8Cl2 — CID 12615568

IUPAC2,3-dichloro-3-methylbut-1-ene
SMILESC=C(Cl)C(C)(C)Cl
InChIInChI=1S/C5H8Cl2/c1-4(6)5(2,3)7/h1H2,2-3H3
InChIKeyUCEDERNTFZRWEY-UHFFFAOYSA-N
MW139.02 g/mol
LogP2.76
Rot. Bonds1

About 2,3-dichloro-3-methylbut-1-ene

2,3-dichloro-3-methylbut-1-ene (PubChem CID 12615568) has the molecular formula C5H8Cl2 and a molecular weight of 139.02 g/mol. Its IUPAC name is 2,3-dichloro-3-methylbut-1-ene.

Molecular Properties

Compound Name2,3-dichloro-3-methylbut-1-ene
PubChem CID12615568
Molecular FormulaC5H8Cl2
Molecular Weight139.02 g/mol
Exact Mass138.00
IUPAC Name2,3-dichloro-3-methylbut-1-ene
SMILESC=C(Cl)C(C)(C)Cl
InChIInChI=1S/C5H8Cl2/c1-4(6)5(2,3)7/h1H2,2-3H3
InChIKeyUCEDERNTFZRWEY-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.02
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,1,2-trichloroprop-2-en-1-ol
CID 21122566
3-chloro-2-methoxy-3-methylbut-1-ene
CID 144521086
2-bromo-3,3-dichlorobut-1-ene
CID 12836192
1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride
CID 157459309
4,4,4-trichloro-2,3,3-trimethylbut-1-ene
CID 12632777
(3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene
CID 157253395
3,3-dichloro-2-methylidenebutanoic acid
CID 19901725
1-chloro-2-methylprop-2-ene-1,1-diamine
CID 123338882
3,4-dichloro-2,3-dimethylbut-1-ene
CID 15093600
1,1,2-trichloropropane-1,2-diol
CID 87301844
CID 155675070
CID 155675070
2,2-dichloropropane;zinc
CID 162195997

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-3-methylbut-1-ene?
The IUPAC name of 2,3-dichloro-3-methylbut-1-ene (CID 12615568) is 2,3-dichloro-3-methylbut-1-ene.
What is the SMILES notation for 2,3-dichloro-3-methylbut-1-ene?
The canonical SMILES for 2,3-dichloro-3-methylbut-1-ene is C=C(Cl)C(C)(C)Cl.
What is the InChIKey of 2,3-dichloro-3-methylbut-1-ene?
The InChIKey is UCEDERNTFZRWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2/c1-4(6)5(2,3)7/h1H2,2-3H3.
What are the key properties of 2,3-dichloro-3-methylbut-1-ene?
2,3-dichloro-3-methylbut-1-ene has a molecular weight of 139.02 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-3-methylbut-1-ene is sourced from PubChem (CID 12615568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).