4,4-dichloro-2,3-dimethylbut-1-ene

C6H10Cl2 — CID 142049943

IUPAC4,4-dichloro-2,3-dimethylbut-1-ene
SMILESC=C(C)C(C)C(Cl)Cl
InChIInChI=1S/C6H10Cl2/c1-4(2)5(3)6(7)8/h5-6H,1H2,2-3H3
InChIKeyRVJLDDYOCYPIDY-UHFFFAOYSA-N
MW153.05 g/mol
LogP3.00
Rot. Bonds2

About 4,4-dichloro-2,3-dimethylbut-1-ene

4,4-dichloro-2,3-dimethylbut-1-ene (PubChem CID 142049943) has the molecular formula C6H10Cl2 and a molecular weight of 153.05 g/mol. Its IUPAC name is 4,4-dichloro-2,3-dimethylbut-1-ene.

Molecular Properties

Compound Name4,4-dichloro-2,3-dimethylbut-1-ene
PubChem CID142049943
Molecular FormulaC6H10Cl2
Molecular Weight153.05 g/mol
Exact Mass152.02
IUPAC Name4,4-dichloro-2,3-dimethylbut-1-ene
SMILESC=C(C)C(C)C(Cl)Cl
InChIInChI=1S/C6H10Cl2/c1-4(2)5(3)6(7)8/h5-6H,1H2,2-3H3
InChIKeyRVJLDDYOCYPIDY-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 ≤ 500153.05
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(3R,4S)-2,4,5-trimethylhex-5-en-3-ol
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(4S)-2,3,4-trimethylhex-1-ene
CID 169204479
4-methoxy-2,3-dimethylpent-1-ene
CID 13025009
3-methylbutane-2-thione;(3S)-2,3,4-trimethylpent-1-ene
CID 163218774
5,6-dimethylhept-6-ene-1,4-diol
CID 22323961
2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
CID 158413804
2,3,6-trimethyl-4-prop-1-en-2-ylhepta-1,6-diene
CID 91102055
2,3,4,7-tetramethylocta-1,5-diene
CID 90685046
2,3,4-trimethyltetradec-1-ene
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Frequently Asked Questions

What is the IUPAC name of 4,4-dichloro-2,3-dimethylbut-1-ene?
The IUPAC name of 4,4-dichloro-2,3-dimethylbut-1-ene (CID 142049943) is 4,4-dichloro-2,3-dimethylbut-1-ene.
What is the SMILES notation for 4,4-dichloro-2,3-dimethylbut-1-ene?
The canonical SMILES for 4,4-dichloro-2,3-dimethylbut-1-ene is C=C(C)C(C)C(Cl)Cl.
What is the InChIKey of 4,4-dichloro-2,3-dimethylbut-1-ene?
The InChIKey is RVJLDDYOCYPIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2/c1-4(2)5(3)6(7)8/h5-6H,1H2,2-3H3.
What are the key properties of 4,4-dichloro-2,3-dimethylbut-1-ene?
4,4-dichloro-2,3-dimethylbut-1-ene has a molecular weight of 153.05 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 4,4-dichloro-2,3-dimethylbut-1-ene is sourced from PubChem (CID 142049943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).