5-ethyl-2,3,5,6,6-pentamethyloctane

C15H32 — CID 123388643

IUPAC5-ethyl-2,3,5,6,6-pentamethyloctane
SMILESCCC(C)(C)C(C)(CC)CC(C)C(C)C
InChIInChI=1S/C15H32/c1-9-14(6,7)15(8,10-2)11-13(5)12(3)4/h12-13H,9-11H2,1-8H3
InChIKeyLMDNNMKFTDDHQE-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.52
Rot. Bonds6

About 5-ethyl-2,3,5,6,6-pentamethyloctane

5-ethyl-2,3,5,6,6-pentamethyloctane (PubChem CID 123388643) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 5-ethyl-2,3,5,6,6-pentamethyloctane.

Molecular Properties

Compound Name5-ethyl-2,3,5,6,6-pentamethyloctane
PubChem CID123388643
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name5-ethyl-2,3,5,6,6-pentamethyloctane
SMILESCCC(C)(C)C(C)(CC)CC(C)C(C)C
InChIInChI=1S/C15H32/c1-9-14(6,7)15(8,10-2)11-13(5)12(3)4/h12-13H,9-11H2,1-8H3
InChIKeyLMDNNMKFTDDHQE-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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

(3R)-5,5-difluoro-2,3-dimethylheptane
CID 118133528
3-ethyl-3,4,4,6-tetramethyloctane
CID 57492408
2,3,5,5,6,7-hexamethylnonane
CID 91311352
3,5,6,7-tetramethyloctan-3-ol
CID 91548783
2-(2,3-dimethylbutyl)-4,5-dimethylhexane-1,2-diamine
CID 126685858
4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane
CID 123480533
ethane;2-methylpropane;2,2,3,3-tetramethylpentane
CID 145053606
3,3,4,5,5-pentamethyl-4-propan-2-ylheptane
CID 91186540
2,4,5-trimethyl-2-sulfanyloxyhexane
CID 123823235
2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)
CID 158330539
2,3,5,6,7,7-hexamethylnonane
CID 123984490
2,2,3,4,5-pentamethylheptane
CID 53428630

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3,5,6,6-pentamethyloctane?
The IUPAC name of 5-ethyl-2,3,5,6,6-pentamethyloctane (CID 123388643) is 5-ethyl-2,3,5,6,6-pentamethyloctane.
What is the SMILES notation for 5-ethyl-2,3,5,6,6-pentamethyloctane?
The canonical SMILES for 5-ethyl-2,3,5,6,6-pentamethyloctane is CCC(C)(C)C(C)(CC)CC(C)C(C)C.
What is the InChIKey of 5-ethyl-2,3,5,6,6-pentamethyloctane?
The InChIKey is LMDNNMKFTDDHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-9-14(6,7)15(8,10-2)11-13(5)12(3)4/h12-13H,9-11H2,1-8H3.
What are the key properties of 5-ethyl-2,3,5,6,6-pentamethyloctane?
5-ethyl-2,3,5,6,6-pentamethyloctane has a molecular weight of 212.42 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3,5,6,6-pentamethyloctane is sourced from PubChem (CID 123388643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).