5-hydroxy-5-propylnonan-4-one

C12H24O2 — CID 134905974

IUPAC5-hydroxy-5-propylnonan-4-one
SMILESCCCCC(O)(CCC)C(=O)CCC
InChIInChI=1S/C12H24O2/c1-4-7-10-12(14,9-6-3)11(13)8-5-2/h14H,4-10H2,1-3H3
InChIKeyIPNMUEKYYKVYFO-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.08
Rot. Bonds8

About 5-hydroxy-5-propylnonan-4-one

5-hydroxy-5-propylnonan-4-one (PubChem CID 134905974) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 5-hydroxy-5-propylnonan-4-one.

Molecular Properties

Compound Name5-hydroxy-5-propylnonan-4-one
PubChem CID134905974
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name5-hydroxy-5-propylnonan-4-one
SMILESCCCCC(O)(CCC)C(=O)CCC
InChIInChI=1S/C12H24O2/c1-4-7-10-12(14,9-6-3)11(13)8-5-2/h14H,4-10H2,1-3H3
InChIKeyIPNMUEKYYKVYFO-UHFFFAOYSA-N
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-propylnonan-4-one?
The IUPAC name of 5-hydroxy-5-propylnonan-4-one (CID 134905974) is 5-hydroxy-5-propylnonan-4-one.
What is the SMILES notation for 5-hydroxy-5-propylnonan-4-one?
The canonical SMILES for 5-hydroxy-5-propylnonan-4-one is CCCCC(O)(CCC)C(=O)CCC.
What is the InChIKey of 5-hydroxy-5-propylnonan-4-one?
The InChIKey is IPNMUEKYYKVYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-7-10-12(14,9-6-3)11(13)8-5-2/h14H,4-10H2,1-3H3.
What are the key properties of 5-hydroxy-5-propylnonan-4-one?
5-hydroxy-5-propylnonan-4-one has a molecular weight of 200.32 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-propylnonan-4-one is sourced from PubChem (CID 134905974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).