1-decyl-2,4-dimethoxybenzene

C18H30O2 — CID 524862

IUPAC1-decyl-2,4-dimethoxybenzene
SMILESCCCCCCCCCCc1ccc(OC)cc1OC
InChIInChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(19-2)15-18(16)20-3/h13-15H,4-12H2,1-3H3
InChIKeyASWJLVTWCMPSNO-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.39
Rot. Bonds11

About 1-decyl-2,4-dimethoxybenzene

1-decyl-2,4-dimethoxybenzene (PubChem CID 524862) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-decyl-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-decyl-2,4-dimethoxybenzene
PubChem CID524862
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1-decyl-2,4-dimethoxybenzene
SMILESCCCCCCCCCCc1ccc(OC)cc1OC
InChIInChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(19-2)15-18(16)20-3/h13-15H,4-12H2,1-3H3
InChIKeyASWJLVTWCMPSNO-UHFFFAOYSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
CID 139826457
3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370
1,2-dibutyl-4-methoxybenzene
CID 153315966
1-methoxy-2-tetradecylbenzene
CID 69169530
5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene
CID 134999835
1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene
CID 154145604
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
2,4-dimethoxy-6-pentylphenol
CID 13197794
3-(2,4-dimethoxyphenyl)propane-1-sulfonamide
CID 175051954

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2,4-dimethoxybenzene?
The IUPAC name of 1-decyl-2,4-dimethoxybenzene (CID 524862) is 1-decyl-2,4-dimethoxybenzene.
What is the SMILES notation for 1-decyl-2,4-dimethoxybenzene?
The canonical SMILES for 1-decyl-2,4-dimethoxybenzene is CCCCCCCCCCc1ccc(OC)cc1OC.
What is the InChIKey of 1-decyl-2,4-dimethoxybenzene?
The InChIKey is ASWJLVTWCMPSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(19-2)15-18(16)20-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-decyl-2,4-dimethoxybenzene?
1-decyl-2,4-dimethoxybenzene has a molecular weight of 278.44 g/mol, XLogP of 5.39, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2,4-dimethoxybenzene is sourced from PubChem (CID 524862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).