2,4,5,5-tetramethyloctane

C12H26 — CID 19844451

IUPAC2,4,5,5-tetramethyloctane
SMILESCCCC(C)(C)C(C)CC(C)C
InChIInChI=1S/C12H26/c1-7-8-12(5,6)11(4)9-10(2)3/h10-11H,7-9H2,1-6H3
InChIKeyOMFWIGPPTXTQHH-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.49
Rot. Bonds5

About 2,4,5,5-tetramethyloctane

2,4,5,5-tetramethyloctane (PubChem CID 19844451) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 2,4,5,5-tetramethyloctane.

Molecular Properties

Compound Name2,4,5,5-tetramethyloctane
PubChem CID19844451
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name2,4,5,5-tetramethyloctane
SMILESCCCC(C)(C)C(C)CC(C)C
InChIInChI=1S/C12H26/c1-7-8-12(5,6)11(4)9-10(2)3/h10-11H,7-9H2,1-6H3
InChIKeyOMFWIGPPTXTQHH-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5R)-5,6,6-trimethylnonan-3-amine
CID 88967140
2,5,6,9,10,10-hexamethyltridecane
CID 144617214
4-methyl-1-tritiopentane;4,4,5-trimethyloctane
CID 173400294
3-ethyl-5,6,6-trimethyldecane
CID 123403358
5-butyl-6-ethyl-2,4,6-trimethyl-5-propan-2-ylnonane
CID 23508564
2-hydroxy-3,5-dimethyl-2-propylhexanoic acid
CID 83051268
2,5,5,6-tetramethyloctane
CID 53424276
(4S)-2,4-dimethyl-4-propan-2-ylheptane
CID 58432708
4,6,8-trimethylnonan-4-ol
CID 54063112
2,2-dimethylhexane;2,4-dimethylpentane;ethane
CID 145269635
1-cyclopropyl-3,4,4-trimethylheptan-1-one
CID 177054090
2,2,4,5,6,6-hexamethylnonane
CID 123538800

Frequently Asked Questions

What is the IUPAC name of 2,4,5,5-tetramethyloctane?
The IUPAC name of 2,4,5,5-tetramethyloctane (CID 19844451) is 2,4,5,5-tetramethyloctane.
What is the SMILES notation for 2,4,5,5-tetramethyloctane?
The canonical SMILES for 2,4,5,5-tetramethyloctane is CCCC(C)(C)C(C)CC(C)C.
What is the InChIKey of 2,4,5,5-tetramethyloctane?
The InChIKey is OMFWIGPPTXTQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-7-8-12(5,6)11(4)9-10(2)3/h10-11H,7-9H2,1-6H3.
What are the key properties of 2,4,5,5-tetramethyloctane?
2,4,5,5-tetramethyloctane has a molecular weight of 170.34 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,5-tetramethyloctane is sourced from PubChem (CID 19844451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).