4-methoxy-4-methyl-1-phenyldecane-3,5-dione

C18H26O3 — CID 86033268

IUPAC4-methoxy-4-methyl-1-phenyldecane-3,5-dione
SMILESCCCCCC(=O)C(C)(OC)C(=O)CCc1ccccc1
InChIInChI=1S/C18H26O3/c1-4-5-7-12-16(19)18(2,21-3)17(20)14-13-15-10-8-6-9-11-15/h6,8-11H,4-5,7,12-14H2,1-3H3
InChIKeyXWMNKFADMFSSBS-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.74
Rot. Bonds10

About 4-methoxy-4-methyl-1-phenyldecane-3,5-dione

4-methoxy-4-methyl-1-phenyldecane-3,5-dione (PubChem CID 86033268) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-phenyldecane-3,5-dione.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-phenyldecane-3,5-dione
PubChem CID86033268
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name4-methoxy-4-methyl-1-phenyldecane-3,5-dione
SMILESCCCCCC(=O)C(C)(OC)C(=O)CCc1ccccc1
InChIInChI=1S/C18H26O3/c1-4-5-7-12-16(19)18(2,21-3)17(20)14-13-15-10-8-6-9-11-15/h6,8-11H,4-5,7,12-14H2,1-3H3
InChIKeyXWMNKFADMFSSBS-UHFFFAOYSA-N
XLogP3.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-methoxy-1-phenylheptan-4-one
CID 116747402
2,2-bis(3-phenylpropanoyl)hexanoic acid
CID 67277107
2,2-dimethyl-7-phenylheptan-3-one
CID 13371233
azane;2,2-bis(3-phenylpropanoyl)hexanoic acid
CID 67277106
carbonic acid;pentylbenzene
CID 157127683
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
3-benzyl-3-methoxyheptan-4-one
CID 83226742
1-butoxy-5-phenylpentan-3-one
CID 115002097
butylbenzene;carbonic acid
CID 158278492
(4S)-4-methyl-1-phenyldecan-3-one
CID 134925721
(3S)-3-methyl-1-phenyltridecan-4-one
CID 157198847
(3S)-3-methyl-1-phenylpentadecan-4-one
CID 158218990

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-phenyldecane-3,5-dione?
The IUPAC name of 4-methoxy-4-methyl-1-phenyldecane-3,5-dione (CID 86033268) is 4-methoxy-4-methyl-1-phenyldecane-3,5-dione.
What is the SMILES notation for 4-methoxy-4-methyl-1-phenyldecane-3,5-dione?
The canonical SMILES for 4-methoxy-4-methyl-1-phenyldecane-3,5-dione is CCCCCC(=O)C(C)(OC)C(=O)CCc1ccccc1.
What is the InChIKey of 4-methoxy-4-methyl-1-phenyldecane-3,5-dione?
The InChIKey is XWMNKFADMFSSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-4-5-7-12-16(19)18(2,21-3)17(20)14-13-15-10-8-6-9-11-15/h6,8-11H,4-5,7,12-14H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-1-phenyldecane-3,5-dione?
4-methoxy-4-methyl-1-phenyldecane-3,5-dione has a molecular weight of 290.40 g/mol, XLogP of 3.74, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-phenyldecane-3,5-dione is sourced from PubChem (CID 86033268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).