3-methylheptan-3-yl hypochlorite

C8H17ClO — CID 54275670

IUPAC3-methylheptan-3-yl hypochlorite
SMILESCCCCC(C)(CC)OCl
InChIInChI=1S/C8H17ClO/c1-4-6-7-8(3,5-2)10-9/h4-7H2,1-3H3
InChIKeyRNGAEEGLFLTOFS-UHFFFAOYSA-N
MW164.68 g/mol
LogP3.52
Rot. Bonds5

About 3-methylheptan-3-yl hypochlorite

3-methylheptan-3-yl hypochlorite (PubChem CID 54275670) has the molecular formula C8H17ClO and a molecular weight of 164.68 g/mol. Its IUPAC name is 3-methylheptan-3-yl hypochlorite.

Molecular Properties

Compound Name3-methylheptan-3-yl hypochlorite
PubChem CID54275670
Molecular FormulaC8H17ClO
Molecular Weight164.68 g/mol
Exact Mass164.10
IUPAC Name3-methylheptan-3-yl hypochlorite
SMILESCCCCC(C)(CC)OCl
InChIInChI=1S/C8H17ClO/c1-4-6-7-8(3,5-2)10-9/h4-7H2,1-3H3
InChIKeyRNGAEEGLFLTOFS-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.68
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylheptan-3-yl hypochlorite?
The IUPAC name of 3-methylheptan-3-yl hypochlorite (CID 54275670) is 3-methylheptan-3-yl hypochlorite.
What is the SMILES notation for 3-methylheptan-3-yl hypochlorite?
The canonical SMILES for 3-methylheptan-3-yl hypochlorite is CCCCC(C)(CC)OCl.
What is the InChIKey of 3-methylheptan-3-yl hypochlorite?
The InChIKey is RNGAEEGLFLTOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO/c1-4-6-7-8(3,5-2)10-9/h4-7H2,1-3H3.
What are the key properties of 3-methylheptan-3-yl hypochlorite?
3-methylheptan-3-yl hypochlorite has a molecular weight of 164.68 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylheptan-3-yl hypochlorite is sourced from PubChem (CID 54275670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).