1-(2,6-dimethoxyphenyl)decan-1-one

C18H28O3 — CID 114966448

IUPAC1-(2,6-dimethoxyphenyl)decan-1-one
SMILESCCCCCCCCCC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C18H28O3/c1-4-5-6-7-8-9-10-12-15(19)18-16(20-2)13-11-14-17(18)21-3/h11,13-14H,4-10,12H2,1-3H3
InChIKeyDUKDPCJOTNRAGG-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.03
Rot. Bonds11

About 1-(2,6-dimethoxyphenyl)decan-1-one

1-(2,6-dimethoxyphenyl)decan-1-one (PubChem CID 114966448) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)decan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)decan-1-one
PubChem CID114966448
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name1-(2,6-dimethoxyphenyl)decan-1-one
SMILESCCCCCCCCCC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C18H28O3/c1-4-5-6-7-8-9-10-12-15(19)18-16(20-2)13-11-14-17(18)21-3/h11,13-14H,4-10,12H2,1-3H3
InChIKeyDUKDPCJOTNRAGG-UHFFFAOYSA-N
XLogP5.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxy-6-methylphenyl)pentan-1-one
CID 83950102
1-(2,4,6-trimethoxyphenyl)dodecan-1-one
CID 11617254
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
1-(2,6-dimethylphenyl)nonan-1-one
CID 114026790
1-(2,6-dichlorophenyl)heptan-1-one
CID 114966663
1-(2,6-difluorophenyl)octan-1-one
CID 79522078
(2-methoxyphenyl) dodecanoate
CID 139927041
(2-methoxyphenyl) octanoate
CID 68908014
(2-heptanoyloxy-3-methoxyphenyl) heptanoate
CID 90024942
1-(2-methoxyphenyl)undecan-2-one
CID 63409598
1-(6-hydroxy-2,3,4-trimethoxyphenyl)octan-1-one
CID 14873632
1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-1-one
CID 114970067

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)decan-1-one?
The IUPAC name of 1-(2,6-dimethoxyphenyl)decan-1-one (CID 114966448) is 1-(2,6-dimethoxyphenyl)decan-1-one.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)decan-1-one?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)decan-1-one is CCCCCCCCCC(=O)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)decan-1-one?
The InChIKey is DUKDPCJOTNRAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-4-5-6-7-8-9-10-12-15(19)18-16(20-2)13-11-14-17(18)21-3/h11,13-14H,4-10,12H2,1-3H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)decan-1-one?
1-(2,6-dimethoxyphenyl)decan-1-one has a molecular weight of 292.42 g/mol, XLogP of 5.03, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)decan-1-one is sourced from PubChem (CID 114966448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).