2,6,6-trimethyl-5-(2-methylpropyl)octane

C15H32 — CID 23402885

IUPAC2,6,6-trimethyl-5-(2-methylpropyl)octane
SMILESCCC(C)(C)C(CCC(C)C)CC(C)C
InChIInChI=1S/C15H32/c1-8-15(6,7)14(11-13(4)5)10-9-12(2)3/h12-14H,8-11H2,1-7H3
InChIKeyBGYWBSRLJSFPGQ-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.52
Rot. Bonds7

About 2,6,6-trimethyl-5-(2-methylpropyl)octane

2,6,6-trimethyl-5-(2-methylpropyl)octane (PubChem CID 23402885) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 2,6,6-trimethyl-5-(2-methylpropyl)octane.

Molecular Properties

Compound Name2,6,6-trimethyl-5-(2-methylpropyl)octane
PubChem CID23402885
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name2,6,6-trimethyl-5-(2-methylpropyl)octane
SMILESCCC(C)(C)C(CCC(C)C)CC(C)C
InChIInChI=1S/C15H32/c1-8-15(6,7)14(11-13(4)5)10-9-12(2)3/h12-14H,8-11H2,1-7H3
InChIKeyBGYWBSRLJSFPGQ-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Farnesane
CID 19773
2,2,4-Trimethylheptane
CID 26839
1,1,2-Trimethylcyclohexane
CID 35363
4,5-Dimethylnonane
CID 86541
1-Butyl-1-methyl-2-propylcyclopropane
CID 39066
2-Ethyl-1,1-dimethylcyclopentane
CID 41123
(+-)-2,2,4,4,6,8,8-Heptamethylnonane
CID 20414
2,2,4,6,6-Pentamethylheptane
CID 26058
Octane, 2,3,7-trimethyl-
CID 43867
3,4-Dimethyloctane
CID 85926
tert-Butylcyclohexane
CID 18508
2,7,10-Trimethyldodecane
CID 93447

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-5-(2-methylpropyl)octane?
The IUPAC name of 2,6,6-trimethyl-5-(2-methylpropyl)octane (CID 23402885) is 2,6,6-trimethyl-5-(2-methylpropyl)octane.
What is the SMILES notation for 2,6,6-trimethyl-5-(2-methylpropyl)octane?
The canonical SMILES for 2,6,6-trimethyl-5-(2-methylpropyl)octane is CCC(C)(C)C(CCC(C)C)CC(C)C.
What is the InChIKey of 2,6,6-trimethyl-5-(2-methylpropyl)octane?
The InChIKey is BGYWBSRLJSFPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-8-15(6,7)14(11-13(4)5)10-9-12(2)3/h12-14H,8-11H2,1-7H3.
What are the key properties of 2,6,6-trimethyl-5-(2-methylpropyl)octane?
2,6,6-trimethyl-5-(2-methylpropyl)octane has a molecular weight of 212.42 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-5-(2-methylpropyl)octane is sourced from PubChem (CID 23402885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).