4-chloro-4-methylpent-1-ene

C6H11Cl — CID 14174361

IUPAC4-chloro-4-methylpent-1-ene
SMILESC=CCC(C)(C)Cl
InChIInChI=1S/C6H11Cl/c1-4-5-6(2,3)7/h4H,1,5H2,2-3H3
InChIKeyLMQOCFOGQMCFNK-UHFFFAOYSA-N
MW118.61 g/mol
LogP2.58
Rot. Bonds2

About 4-chloro-4-methylpent-1-ene

4-chloro-4-methylpent-1-ene (PubChem CID 14174361) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is 4-chloro-4-methylpent-1-ene.

Molecular Properties

Compound Name4-chloro-4-methylpent-1-ene
PubChem CID14174361
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Name4-chloro-4-methylpent-1-ene
SMILESC=CCC(C)(C)Cl
InChIInChI=1S/C6H11Cl/c1-4-5-6(2,3)7/h4H,1,5H2,2-3H3
InChIKeyLMQOCFOGQMCFNK-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.61
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-4-methylpent-1-ene?
The IUPAC name of 4-chloro-4-methylpent-1-ene (CID 14174361) is 4-chloro-4-methylpent-1-ene.
What is the SMILES notation for 4-chloro-4-methylpent-1-ene?
The canonical SMILES for 4-chloro-4-methylpent-1-ene is C=CCC(C)(C)Cl.
What is the InChIKey of 4-chloro-4-methylpent-1-ene?
The InChIKey is LMQOCFOGQMCFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl/c1-4-5-6(2,3)7/h4H,1,5H2,2-3H3.
What are the key properties of 4-chloro-4-methylpent-1-ene?
4-chloro-4-methylpent-1-ene has a molecular weight of 118.61 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-4-methylpent-1-ene is sourced from PubChem (CID 14174361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).