1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one

C28H48O3 — CID 71424697

IUPAC1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one
SMILESCCCCCCCCCCc1cc(OC)c(OC)cc1C(=O)CCCCCCCCC
InChIInChI=1S/C28H48O3/c1-5-7-9-11-13-15-16-18-20-24-22-27(30-3)28(31-4)23-25(24)26(29)21-19-17-14-12-10-8-6-2/h22-23H,5-21H2,1-4H3
InChIKeyFVUFGKLCGWDIIJ-UHFFFAOYSA-N
MW432.69 g/mol
LogP8.71
Rot. Bonds20

About 1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one

1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one (PubChem CID 71424697) has the molecular formula C28H48O3 and a molecular weight of 432.69 g/mol. Its IUPAC name is 1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one.

Molecular Properties

Compound Name1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one
PubChem CID71424697
Molecular FormulaC28H48O3
Molecular Weight432.69 g/mol
Exact Mass432.36
IUPAC Name1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one
SMILESCCCCCCCCCCc1cc(OC)c(OC)cc1C(=O)CCCCCCCCC
InChIInChI=1S/C28H48O3/c1-5-7-9-11-13-15-16-18-20-24-22-27(30-3)28(31-4)23-25(24)26(29)21-19-17-14-12-10-8-6-2/h22-23H,5-21H2,1-4H3
InChIKeyFVUFGKLCGWDIIJ-UHFFFAOYSA-N
XLogP8.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.69
LogP ≤ 58.71
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-(4,5-diamino-2-methoxyphenyl)octadecan-1-one
CID 154279335
1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931
6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione
CID 10809297
1-(2-bromo-4,5-dimethoxyphenyl)pentan-1-one
CID 43161105
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one
CID 10834959
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728
octanoic acid;2,4,5-trimethoxybenzoic acid
CID 160972233
1-(3,4,5-trimethoxyphenyl)octan-1-one
CID 114966527
1-(2,4,6-trimethoxyphenyl)dodecan-1-one
CID 11617254
butyl 2-(2,3,4-trimethoxy-6-octanoylphenyl)acetate
CID 153405800
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982

Frequently Asked Questions

What is the IUPAC name of 1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one?
The IUPAC name of 1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one (CID 71424697) is 1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one.
What is the SMILES notation for 1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one?
The canonical SMILES for 1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one is CCCCCCCCCCc1cc(OC)c(OC)cc1C(=O)CCCCCCCCC.
What is the InChIKey of 1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one?
The InChIKey is FVUFGKLCGWDIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48O3/c1-5-7-9-11-13-15-16-18-20-24-22-27(30-3)28(31-4)23-25(24)26(29)21-19-17-14-12-10-8-6-2/h22-23H,5-21H2,1-4H3.
What are the key properties of 1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one?
1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one has a molecular weight of 432.69 g/mol, XLogP of 8.71, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one is sourced from PubChem (CID 71424697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).