9-methyl-5-propan-2-yldecane-4,6-dione

C14H26O2 — CID 141004333

IUPAC9-methyl-5-propan-2-yldecane-4,6-dione
SMILESCCCC(=O)C(C(=O)CCC(C)C)C(C)C
InChIInChI=1S/C14H26O2/c1-6-7-12(15)14(11(4)5)13(16)9-8-10(2)3/h10-11,14H,6-9H2,1-5H3
InChIKeyRSGYQGOOCULXKR-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.63
Rot. Bonds8

About 9-methyl-5-propan-2-yldecane-4,6-dione

9-methyl-5-propan-2-yldecane-4,6-dione (PubChem CID 141004333) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 9-methyl-5-propan-2-yldecane-4,6-dione.

Molecular Properties

Compound Name9-methyl-5-propan-2-yldecane-4,6-dione
PubChem CID141004333
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name9-methyl-5-propan-2-yldecane-4,6-dione
SMILESCCCC(=O)C(C(=O)CCC(C)C)C(C)C
InChIInChI=1S/C14H26O2/c1-6-7-12(15)14(11(4)5)13(16)9-8-10(2)3/h10-11,14H,6-9H2,1-5H3
InChIKeyRSGYQGOOCULXKR-UHFFFAOYSA-N
XLogP3.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-5-propan-2-yldecane-4,6-dione?
The IUPAC name of 9-methyl-5-propan-2-yldecane-4,6-dione (CID 141004333) is 9-methyl-5-propan-2-yldecane-4,6-dione.
What is the SMILES notation for 9-methyl-5-propan-2-yldecane-4,6-dione?
The canonical SMILES for 9-methyl-5-propan-2-yldecane-4,6-dione is CCCC(=O)C(C(=O)CCC(C)C)C(C)C.
What is the InChIKey of 9-methyl-5-propan-2-yldecane-4,6-dione?
The InChIKey is RSGYQGOOCULXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-6-7-12(15)14(11(4)5)13(16)9-8-10(2)3/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 9-methyl-5-propan-2-yldecane-4,6-dione?
9-methyl-5-propan-2-yldecane-4,6-dione has a molecular weight of 226.36 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-5-propan-2-yldecane-4,6-dione is sourced from PubChem (CID 141004333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).