2,4-dimethylpentan-3-yl hypochlorite

C7H15ClO — CID 54214219

IUPAC2,4-dimethylpentan-3-yl hypochlorite
SMILESCC(C)C(OCl)C(C)C
InChIInChI=1S/C7H15ClO/c1-5(2)7(9-8)6(3)4/h5-7H,1-4H3
InChIKeyPXZZDEQERNWEHH-UHFFFAOYSA-N
MW150.65 g/mol
LogP2.84
Rot. Bonds3

About 2,4-dimethylpentan-3-yl hypochlorite

2,4-dimethylpentan-3-yl hypochlorite (PubChem CID 54214219) has the molecular formula C7H15ClO and a molecular weight of 150.65 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl hypochlorite.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl hypochlorite
PubChem CID54214219
Molecular FormulaC7H15ClO
Molecular Weight150.65 g/mol
Exact Mass150.08
IUPAC Name2,4-dimethylpentan-3-yl hypochlorite
SMILESCC(C)C(OCl)C(C)C
InChIInChI=1S/C7H15ClO/c1-5(2)7(9-8)6(3)4/h5-7H,1-4H3
InChIKeyPXZZDEQERNWEHH-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yl hypochlorite?
The IUPAC name of 2,4-dimethylpentan-3-yl hypochlorite (CID 54214219) is 2,4-dimethylpentan-3-yl hypochlorite.
What is the SMILES notation for 2,4-dimethylpentan-3-yl hypochlorite?
The canonical SMILES for 2,4-dimethylpentan-3-yl hypochlorite is CC(C)C(OCl)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yl hypochlorite?
The InChIKey is PXZZDEQERNWEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO/c1-5(2)7(9-8)6(3)4/h5-7H,1-4H3.
What are the key properties of 2,4-dimethylpentan-3-yl hypochlorite?
2,4-dimethylpentan-3-yl hypochlorite has a molecular weight of 150.65 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yl hypochlorite is sourced from PubChem (CID 54214219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).