5-butylnonan-5-yl hypochlorite

C13H27ClO — CID 54077208

IUPAC5-butylnonan-5-yl hypochlorite
SMILESCCCCC(CCCC)(CCCC)OCl
InChIInChI=1S/C13H27ClO/c1-4-7-10-13(15-14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChIKeyMKNOADQOKFAFQO-UHFFFAOYSA-N
MW234.81 g/mol
LogP5.47
Rot. Bonds10

About 5-butylnonan-5-yl hypochlorite

5-butylnonan-5-yl hypochlorite (PubChem CID 54077208) has the molecular formula C13H27ClO and a molecular weight of 234.81 g/mol. Its IUPAC name is 5-butylnonan-5-yl hypochlorite.

Molecular Properties

Compound Name5-butylnonan-5-yl hypochlorite
PubChem CID54077208
Molecular FormulaC13H27ClO
Molecular Weight234.81 g/mol
Exact Mass234.18
IUPAC Name5-butylnonan-5-yl hypochlorite
SMILESCCCCC(CCCC)(CCCC)OCl
InChIInChI=1S/C13H27ClO/c1-4-7-10-13(15-14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChIKeyMKNOADQOKFAFQO-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.81
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl hypochlorite?
The IUPAC name of 5-butylnonan-5-yl hypochlorite (CID 54077208) is 5-butylnonan-5-yl hypochlorite.
What is the SMILES notation for 5-butylnonan-5-yl hypochlorite?
The canonical SMILES for 5-butylnonan-5-yl hypochlorite is CCCCC(CCCC)(CCCC)OCl.
What is the InChIKey of 5-butylnonan-5-yl hypochlorite?
The InChIKey is MKNOADQOKFAFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27ClO/c1-4-7-10-13(15-14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3.
What are the key properties of 5-butylnonan-5-yl hypochlorite?
5-butylnonan-5-yl hypochlorite has a molecular weight of 234.81 g/mol, XLogP of 5.47, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl hypochlorite is sourced from PubChem (CID 54077208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).