2-decoxy-1,3-dimethylbenzene

C18H30O — CID 83057478

IUPAC2-decoxy-1,3-dimethylbenzene
SMILESCCCCCCCCCCOc1c(C)cccc1C
InChIInChI=1S/C18H30O/c1-4-5-6-7-8-9-10-11-15-19-18-16(2)13-12-14-17(18)3/h12-14H,4-11,15H2,1-3H3
InChIKeyNNVWQPVJKVMLMK-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.82
Rot. Bonds10

About 2-decoxy-1,3-dimethylbenzene

2-decoxy-1,3-dimethylbenzene (PubChem CID 83057478) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-decoxy-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-decoxy-1,3-dimethylbenzene
PubChem CID83057478
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2-decoxy-1,3-dimethylbenzene
SMILESCCCCCCCCCCOc1c(C)cccc1C
InChIInChI=1S/C18H30O/c1-4-5-6-7-8-9-10-11-15-19-18-16(2)13-12-14-17(18)3/h12-14H,4-11,15H2,1-3H3
InChIKeyNNVWQPVJKVMLMK-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-2-propoxybenzene
CID 579040
1-(bromomethyl)-2-hexoxy-3-methylbenzene
CID 112614137
(2-decoxy-3-methylphenyl)methanamine
CID 115951875
(2-decoxy-3-methylphenyl)methanol
CID 115956202
1-(bromomethyl)-3-methyl-2-octoxybenzene
CID 112614072
2,6-dimethylphenol;2-hexoxy-1,3-dimethylbenzene;1-iodohexane
CID 161403557
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
1-ethenyl-3-methyl-2-octoxybenzene
CID 174464142
1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
CID 115952261
2-heptoxy-3-methylbenzoic acid
CID 54560597
N-[(2-heptoxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 115954178
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352

Frequently Asked Questions

What is the IUPAC name of 2-decoxy-1,3-dimethylbenzene?
The IUPAC name of 2-decoxy-1,3-dimethylbenzene (CID 83057478) is 2-decoxy-1,3-dimethylbenzene.
What is the SMILES notation for 2-decoxy-1,3-dimethylbenzene?
The canonical SMILES for 2-decoxy-1,3-dimethylbenzene is CCCCCCCCCCOc1c(C)cccc1C.
What is the InChIKey of 2-decoxy-1,3-dimethylbenzene?
The InChIKey is NNVWQPVJKVMLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-4-5-6-7-8-9-10-11-15-19-18-16(2)13-12-14-17(18)3/h12-14H,4-11,15H2,1-3H3.
What are the key properties of 2-decoxy-1,3-dimethylbenzene?
2-decoxy-1,3-dimethylbenzene has a molecular weight of 262.44 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decoxy-1,3-dimethylbenzene is sourced from PubChem (CID 83057478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).