2-chloro-4-methylpent-1-ene

C6H10Cl- — CID 91377524

IUPAC2-chloro-4-methylpent-1-ene
SMILESC=C(Cl)[CH-]C(C)C
InChIInChI=1S/C6H10Cl/c1-5(2)4-6(3)7/h4-5H,3H2,1-2H3/q-1
InChIKeySRNMERILDJIXJG-UHFFFAOYSA-N
MW117.60 g/mol
LogP2.60
Rot. Bonds2

About 2-chloro-4-methylpent-1-ene

2-chloro-4-methylpent-1-ene (PubChem CID 91377524) has the molecular formula C6H10Cl- and a molecular weight of 117.60 g/mol. Its IUPAC name is 2-chloro-4-methylpent-1-ene.

Molecular Properties

Compound Name2-chloro-4-methylpent-1-ene
PubChem CID91377524
Molecular FormulaC6H10Cl-
Molecular Weight117.60 g/mol
Exact Mass117.05
IUPAC Name2-chloro-4-methylpent-1-ene
SMILESC=C(Cl)[CH-]C(C)C
InChIInChI=1S/C6H10Cl/c1-5(2)4-6(3)7/h4-5H,3H2,1-2H3/q-1
InChIKeySRNMERILDJIXJG-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.60
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylpent-1-ene?
The IUPAC name of 2-chloro-4-methylpent-1-ene (CID 91377524) is 2-chloro-4-methylpent-1-ene.
What is the SMILES notation for 2-chloro-4-methylpent-1-ene?
The canonical SMILES for 2-chloro-4-methylpent-1-ene is C=C(Cl)[CH-]C(C)C.
What is the InChIKey of 2-chloro-4-methylpent-1-ene?
The InChIKey is SRNMERILDJIXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl/c1-5(2)4-6(3)7/h4-5H,3H2,1-2H3/q-1.
What are the key properties of 2-chloro-4-methylpent-1-ene?
2-chloro-4-methylpent-1-ene has a molecular weight of 117.60 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylpent-1-ene is sourced from PubChem (CID 91377524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).