2,3,5,6,8-pentamethyldecane

C15H32 — CID 123990465

IUPAC2,3,5,6,8-pentamethyldecane
SMILESCCC(C)CC(C)C(C)CC(C)C(C)C
InChIInChI=1S/C15H32/c1-8-12(4)9-14(6)15(7)10-13(5)11(2)3/h11-15H,8-10H2,1-7H3
InChIKeyWQXKKWKJSXKUAR-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.38
Rot. Bonds7

About 2,3,5,6,8-pentamethyldecane

2,3,5,6,8-pentamethyldecane (PubChem CID 123990465) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 2,3,5,6,8-pentamethyldecane.

Molecular Properties

Compound Name2,3,5,6,8-pentamethyldecane
PubChem CID123990465
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name2,3,5,6,8-pentamethyldecane
SMILESCCC(C)CC(C)C(C)CC(C)C(C)C
InChIInChI=1S/C15H32/c1-8-12(4)9-14(6)15(7)10-13(5)11(2)3/h11-15H,8-10H2,1-7H3
InChIKeyWQXKKWKJSXKUAR-UHFFFAOYSA-N
XLogP5.38
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 ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5R)-2,3,5-trimethylheptane
CID 59882960
(3R,5R)-2,3,5,6-tetramethylheptane
CID 102426642
3,4,5,6,8-pentamethyldecane
CID 123810037
4-ethyl-2,3,5,7-tetramethylnonane
CID 123258187
2,2,3,4,6-pentamethyloctane
CID 57491075
5-ethyl-3,6,8-trimethyldecane
CID 173141656
3,5,6-trimethyldecane
CID 57490917
3-ethyl-2,2,4,6-tetramethyloctane
CID 57492379
3,5-dimethylheptane;ethane
CID 172617343
8-ethyl-2,3,5,9-tetramethyldecane
CID 123544515
6-ethyl-2,3,8-trimethyldecane
CID 90730025
(3R,6S)-3-fluoro-4,6-dimethyloctane
CID 134189007

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,8-pentamethyldecane?
The IUPAC name of 2,3,5,6,8-pentamethyldecane (CID 123990465) is 2,3,5,6,8-pentamethyldecane.
What is the SMILES notation for 2,3,5,6,8-pentamethyldecane?
The canonical SMILES for 2,3,5,6,8-pentamethyldecane is CCC(C)CC(C)C(C)CC(C)C(C)C.
What is the InChIKey of 2,3,5,6,8-pentamethyldecane?
The InChIKey is WQXKKWKJSXKUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-8-12(4)9-14(6)15(7)10-13(5)11(2)3/h11-15H,8-10H2,1-7H3.
What are the key properties of 2,3,5,6,8-pentamethyldecane?
2,3,5,6,8-pentamethyldecane has a molecular weight of 212.42 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,8-pentamethyldecane is sourced from PubChem (CID 123990465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).