1-decyl-2,3,4,5-tetramethylbenzene

C20H34 — CID 150356555

IUPAC1-decyl-2,3,4,5-tetramethylbenzene
SMILESCCCCCCCCCCc1cc(C)c(C)c(C)c1C
InChIInChI=1S/C20H34/c1-6-7-8-9-10-11-12-13-14-20-15-16(2)17(3)18(4)19(20)5/h15H,6-14H2,1-5H3
InChIKeyGUVILXVCCOBQOZ-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.60
Rot. Bonds9

About 1-decyl-2,3,4,5-tetramethylbenzene

1-decyl-2,3,4,5-tetramethylbenzene (PubChem CID 150356555) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1-decyl-2,3,4,5-tetramethylbenzene.

Molecular Properties

Compound Name1-decyl-2,3,4,5-tetramethylbenzene
PubChem CID150356555
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name1-decyl-2,3,4,5-tetramethylbenzene
SMILESCCCCCCCCCCc1cc(C)c(C)c(C)c1C
InChIInChI=1S/C20H34/c1-6-7-8-9-10-11-12-13-14-20-15-16(2)17(3)18(4)19(20)5/h15H,6-14H2,1-5H3
InChIKeyGUVILXVCCOBQOZ-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-2,3,5-trimethylbenzene
CID 90943000
1,2,3,4-tetramethyl-5-[2-(2,3,4,5-tetramethylphenyl)ethyl]benzene
CID 19828908
4-butyl-2,3,6-trimethylphenol
CID 91610949
1,2,3,4-tetramethyl-5-oct-7-ynylbenzene
CID 123413778
5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene
CID 90895714
(2,3,4-trimethyl-5-pentylphenyl)phosphane;hydrobromide
CID 175177342
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
4-butyl-3,6-dimethylbenzene-1,2-diol
CID 87874831
5-hexadecyl-2,3,4-trimethylbenzenesulfonic acid
CID 141115359
1,3,4-tributyl-2,5-dimethylbenzene
CID 150402952
4-dodecyl-6-methylbenzene-1,3-diamine
CID 70404899
1,2,3,4-tetramethyl-5-pent-4-enylbenzene
CID 91583906

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2,3,4,5-tetramethylbenzene?
The IUPAC name of 1-decyl-2,3,4,5-tetramethylbenzene (CID 150356555) is 1-decyl-2,3,4,5-tetramethylbenzene.
What is the SMILES notation for 1-decyl-2,3,4,5-tetramethylbenzene?
The canonical SMILES for 1-decyl-2,3,4,5-tetramethylbenzene is CCCCCCCCCCc1cc(C)c(C)c(C)c1C.
What is the InChIKey of 1-decyl-2,3,4,5-tetramethylbenzene?
The InChIKey is GUVILXVCCOBQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-6-7-8-9-10-11-12-13-14-20-15-16(2)17(3)18(4)19(20)5/h15H,6-14H2,1-5H3.
What are the key properties of 1-decyl-2,3,4,5-tetramethylbenzene?
1-decyl-2,3,4,5-tetramethylbenzene has a molecular weight of 274.49 g/mol, XLogP of 6.60, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2,3,4,5-tetramethylbenzene is sourced from PubChem (CID 150356555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).