4-tert-butyl-5-(2,2-dimethylpropyl)-2,2,7,7-tetramethyloctane

C21H44 — CID 153293679

IUPAC4-tert-butyl-5-(2,2-dimethylpropyl)-2,2,7,7-tetramethyloctane
SMILESCC(C)(C)CC(CC(C)(C)C)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C21H44/c1-18(2,3)13-16(14-19(4,5)6)17(21(10,11)12)15-20(7,8)9/h16-17H,13-15H2,1-12H3
InChIKeyFKNPWNQBOOWZFT-UHFFFAOYSA-N
MW296.58 g/mol
LogP7.57
Rot. Bonds4

About 4-tert-butyl-5-(2,2-dimethylpropyl)-2,2,7,7-tetramethyloctane

4-tert-butyl-5-(2,2-dimethylpropyl)-2,2,7,7-tetramethyloctane (PubChem CID 153293679) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 4-tert-butyl-5-(2,2-dimethylpropyl)-2,2,7,7-tetramethyloctane.

Molecular Properties

Compound Name4-tert-butyl-5-(2,2-dimethylpropyl)-2,2,7,7-tetramethyloctane
PubChem CID153293679
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name4-tert-butyl-5-(2,2-dimethylpropyl)-2,2,7,7-tetramethyloctane
SMILESCC(C)(C)CC(CC(C)(C)C)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C21H44/c1-18(2,3)13-16(14-19(4,5)6)17(21(10,11)12)15-20(7,8)9/h16-17H,13-15H2,1-12H3
InChIKeyFKNPWNQBOOWZFT-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane
CID 142114488
(2R)-4,4-dimethyl-2-propan-2-ylpentan-1-ol
CID 167343792
tert-butyl-dimethyl-(2,2,5,5-tetramethylhexan-3-yl)silane
CID 91295777
3-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-2,2,5,5-tetramethylhexane
CID 123361756
(1-Tert-butyl-3,3-dimethylbutyl)borane
CID 24972798
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
2,2,7,7-tetramethyl-4-propan-2-ylnonane
CID 123845621
(3R)-2,5,5-trimethylhexan-3-ol
CID 167343865
(3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane
CID 146228126
2,2,6,6-tetramethylheptane-3,4-diamine
CID 175410275
3-methoxy-2,2,5,5-tetramethylhexane
CID 12756025
(2R)-4,4-dimethylpentan-2-ol
CID 7014873

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-(2,2-dimethylpropyl)-2,2,7,7-tetramethyloctane?
The IUPAC name of 4-tert-butyl-5-(2,2-dimethylpropyl)-2,2,7,7-tetramethyloctane (CID 153293679) is 4-tert-butyl-5-(2,2-dimethylpropyl)-2,2,7,7-tetramethyloctane.
What is the SMILES notation for 4-tert-butyl-5-(2,2-dimethylpropyl)-2,2,7,7-tetramethyloctane?
The canonical SMILES for 4-tert-butyl-5-(2,2-dimethylpropyl)-2,2,7,7-tetramethyloctane is CC(C)(C)CC(CC(C)(C)C)C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-(2,2-dimethylpropyl)-2,2,7,7-tetramethyloctane?
The InChIKey is FKNPWNQBOOWZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-18(2,3)13-16(14-19(4,5)6)17(21(10,11)12)15-20(7,8)9/h16-17H,13-15H2,1-12H3.
What are the key properties of 4-tert-butyl-5-(2,2-dimethylpropyl)-2,2,7,7-tetramethyloctane?
4-tert-butyl-5-(2,2-dimethylpropyl)-2,2,7,7-tetramethyloctane has a molecular weight of 296.58 g/mol, XLogP of 7.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(2,2-dimethylpropyl)-2,2,7,7-tetramethyloctane is sourced from PubChem (CID 153293679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).