2,5,5,6-tetramethyloctane

C12H26 — CID 53424276

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

About 2,5,5,6-tetramethyloctane

2,5,5,6-tetramethyloctane (PubChem CID 53424276) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 2,5,5,6-tetramethyloctane.

Molecular Properties

Compound Name2,5,5,6-tetramethyloctane
PubChem CID53424276
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name2,5,5,6-tetramethyloctane
SMILESCCC(C)C(C)(C)CCC(C)C
InChIInChI=1S/C12H26/c1-7-11(4)12(5,6)9-8-10(2)3/h10-11H,7-9H2,1-6H3
InChIKeyDLCPMTDXNVOOLU-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

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CID 123778940
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3,6-dimethylheptan-3-amine;ethane
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2,4,4,5-tetramethylheptan-2-ol
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2,4,5,5-tetramethyloctane
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4,4,5-trimethylheptan-2-amine
CID 79446390
3-ethyl-2,3,6-trimethylheptane
CID 53428909
2,5,8-trimethylnonan-5-ol
CID 58574498
4-methyl-1-tritiopentane;4,4,5-trimethyloctane
CID 173400294
2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol
CID 129191195
2,3-dimethylpentan-2-yl(trimethyl)-λ4-sulfane
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Frequently Asked Questions

What is the IUPAC name of 2,5,5,6-tetramethyloctane?
The IUPAC name of 2,5,5,6-tetramethyloctane (CID 53424276) is 2,5,5,6-tetramethyloctane.
What is the SMILES notation for 2,5,5,6-tetramethyloctane?
The canonical SMILES for 2,5,5,6-tetramethyloctane is CCC(C)C(C)(C)CCC(C)C.
What is the InChIKey of 2,5,5,6-tetramethyloctane?
The InChIKey is DLCPMTDXNVOOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-7-11(4)12(5,6)9-8-10(2)3/h10-11H,7-9H2,1-6H3.
What are the key properties of 2,5,5,6-tetramethyloctane?
2,5,5,6-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 2,5,5,6-tetramethyloctane is sourced from PubChem (CID 53424276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).