2,2,5,5-tetramethyloctan-3-ylbenzene

C18H30 — CID 144612557

IUPAC2,2,5,5-tetramethyloctan-3-ylbenzene
SMILESCCCC(C)(C)CC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C18H30/c1-7-13-18(5,6)14-16(17(2,3)4)15-11-9-8-10-12-15/h8-12,16H,7,13-14H2,1-6H3
InChIKeyRQJZIOUUXAUHOT-UHFFFAOYSA-N
MW246.44 g/mol
LogP6.03
Rot. Bonds5

About 2,2,5,5-tetramethyloctan-3-ylbenzene

2,2,5,5-tetramethyloctan-3-ylbenzene (PubChem CID 144612557) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 2,2,5,5-tetramethyloctan-3-ylbenzene.

Molecular Properties

Compound Name2,2,5,5-tetramethyloctan-3-ylbenzene
PubChem CID144612557
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name2,2,5,5-tetramethyloctan-3-ylbenzene
SMILESCCCC(C)(C)CC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C18H30/c1-7-13-18(5,6)14-16(17(2,3)4)15-11-9-8-10-12-15/h8-12,16H,7,13-14H2,1-6H3
InChIKeyRQJZIOUUXAUHOT-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
2,2,5-trimethylhexan-3-ylbenzene
CID 18669937
(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene
CID 137470880
2,2-dimethylpentylbenzene
CID 15727699
1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 91223677
2,2,5,5-tetramethylhexan-3-ylbenzene;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phosphonic acid
CID 143754679
N-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine
CID 146442809
2,2-dimethyl-3-phenylheptanal
CID 174996144
1-(2,2-dimethylhexan-3-yl)-4-phenoxybenzene;ethane
CID 145059782
4,4-dimethyl-3-phenylpentanamide
CID 82077159
(1,1,1-trifluoro-4,4-dimethylhexan-3-yl)benzene
CID 155261627
2,2,5,5,6,7,7-heptamethyloctan-4-ylbenzene
CID 90806094

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyloctan-3-ylbenzene?
The IUPAC name of 2,2,5,5-tetramethyloctan-3-ylbenzene (CID 144612557) is 2,2,5,5-tetramethyloctan-3-ylbenzene.
What is the SMILES notation for 2,2,5,5-tetramethyloctan-3-ylbenzene?
The canonical SMILES for 2,2,5,5-tetramethyloctan-3-ylbenzene is CCCC(C)(C)CC(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2,2,5,5-tetramethyloctan-3-ylbenzene?
The InChIKey is RQJZIOUUXAUHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-7-13-18(5,6)14-16(17(2,3)4)15-11-9-8-10-12-15/h8-12,16H,7,13-14H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyloctan-3-ylbenzene?
2,2,5,5-tetramethyloctan-3-ylbenzene has a molecular weight of 246.44 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyloctan-3-ylbenzene is sourced from PubChem (CID 144612557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).