10-methyloxecane-2,4-dione

C10H16O3 — CID 12514835

IUPAC10-methyloxecane-2,4-dione
SMILESCC1CCCCCC(=O)CC(=O)O1
InChIInChI=1S/C10H16O3/c1-8-5-3-2-4-6-9(11)7-10(12)13-8/h8H,2-7H2,1H3
InChIKeySNAFRLITASCLPF-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.84
Rot. Bonds

About 10-methyloxecane-2,4-dione

10-methyloxecane-2,4-dione (PubChem CID 12514835) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 10-methyloxecane-2,4-dione.

Molecular Properties

Compound Name10-methyloxecane-2,4-dione
PubChem CID12514835
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name10-methyloxecane-2,4-dione
SMILESCC1CCCCCC(=O)CC(=O)O1
InChIInChI=1S/C10H16O3/c1-8-5-3-2-4-6-9(11)7-10(12)13-8/h8H,2-7H2,1H3
InChIKeySNAFRLITASCLPF-UHFFFAOYSA-N
XLogP1.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Isopropyl dodecanoate
CID 25068
Isopropyl caprate
CID 16833
Isopropyl caprylate
CID 21606
Pentadecano-1,14-lactone
CID 141710
Nonanoic acid, 1-methylethyl ester
CID 119911
Methyl 3-acetoxyoctanoate
CID 529300
Nonanoic acid, 3-oxo-, ethyl ester
CID 245601
Decanoic acid, 3-oxo-, ethyl ester
CID 83224
3-Nonanone, 1-hydroxy-, acetate
CID 12678469
13-Tetradecanolide
CID 543405
Ethyl 3-(acetyloxy)octanoate
CID 529296
11-Dodecanolide
CID 543499

Frequently Asked Questions

What is the IUPAC name of 10-methyloxecane-2,4-dione?
The IUPAC name of 10-methyloxecane-2,4-dione (CID 12514835) is 10-methyloxecane-2,4-dione.
What is the SMILES notation for 10-methyloxecane-2,4-dione?
The canonical SMILES for 10-methyloxecane-2,4-dione is CC1CCCCCC(=O)CC(=O)O1.
What is the InChIKey of 10-methyloxecane-2,4-dione?
The InChIKey is SNAFRLITASCLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8-5-3-2-4-6-9(11)7-10(12)13-8/h8H,2-7H2,1H3.
What are the key properties of 10-methyloxecane-2,4-dione?
10-methyloxecane-2,4-dione has a molecular weight of 184.23 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyloxecane-2,4-dione is sourced from PubChem (CID 12514835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).