2,2,3,5-tetramethyl-4-(2-methylpropyl)octane

C16H34 — CID 90766744

IUPAC2,2,3,5-tetramethyl-4-(2-methylpropyl)octane
SMILESCCCC(C)C(CC(C)C)C(C)C(C)(C)C
InChIInChI=1S/C16H34/c1-9-10-13(4)15(11-12(2)3)14(5)16(6,7)8/h12-15H,9-11H2,1-8H3
InChIKeyWDBPCTHSMRTQEA-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.77
Rot. Bonds6

About 2,2,3,5-tetramethyl-4-(2-methylpropyl)octane

2,2,3,5-tetramethyl-4-(2-methylpropyl)octane (PubChem CID 90766744) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 2,2,3,5-tetramethyl-4-(2-methylpropyl)octane.

Molecular Properties

Compound Name2,2,3,5-tetramethyl-4-(2-methylpropyl)octane
PubChem CID90766744
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name2,2,3,5-tetramethyl-4-(2-methylpropyl)octane
SMILESCCCC(C)C(CC(C)C)C(C)C(C)(C)C
InChIInChI=1S/C16H34/c1-9-10-13(4)15(11-12(2)3)14(5)16(6,7)8/h12-15H,9-11H2,1-8H3
InChIKeyWDBPCTHSMRTQEA-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane
CID 139294709
2,2,3,4,6,7,8,9-octamethyldodecane
CID 123701527
5-tert-butyl-4,6-dimethylnonane
CID 91526510
6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane
CID 123138590
2,5-dimethyl-4-propyloctane
CID 57491236
6-butan-2-yl-4-ethyl-2,7-dimethyldecane
CID 57320369
3-fluoro-2,2,4-trimethylheptane
CID 123271530
3-ethyl-2,2,4-trimethylheptane
CID 22354769
3-tert-butyl-2,2-dimethylhexane
CID 53428784
2,2,3,3,4,7-hexamethyl-5-propyloctane
CID 123420918
7-tert-butyl-4,5-dimethyl-8-propylundecane
CID 123567067
2,2,5,6-tetramethyl-4-propan-2-ylnonane
CID 123310465

Frequently Asked Questions

What is the IUPAC name of 2,2,3,5-tetramethyl-4-(2-methylpropyl)octane?
The IUPAC name of 2,2,3,5-tetramethyl-4-(2-methylpropyl)octane (CID 90766744) is 2,2,3,5-tetramethyl-4-(2-methylpropyl)octane.
What is the SMILES notation for 2,2,3,5-tetramethyl-4-(2-methylpropyl)octane?
The canonical SMILES for 2,2,3,5-tetramethyl-4-(2-methylpropyl)octane is CCCC(C)C(CC(C)C)C(C)C(C)(C)C.
What is the InChIKey of 2,2,3,5-tetramethyl-4-(2-methylpropyl)octane?
The InChIKey is WDBPCTHSMRTQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-9-10-13(4)15(11-12(2)3)14(5)16(6,7)8/h12-15H,9-11H2,1-8H3.
What are the key properties of 2,2,3,5-tetramethyl-4-(2-methylpropyl)octane?
2,2,3,5-tetramethyl-4-(2-methylpropyl)octane has a molecular weight of 226.45 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5-tetramethyl-4-(2-methylpropyl)octane is sourced from PubChem (CID 90766744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).