2,4,5,8,10-pentamethylundecane

C16H34 — CID 123878114

IUPAC2,4,5,8,10-pentamethylundecane
SMILESCC(C)CC(C)CCC(C)C(C)CC(C)C
InChIInChI=1S/C16H34/c1-12(2)10-14(5)8-9-15(6)16(7)11-13(3)4/h12-16H,8-11H2,1-7H3
InChIKeyFHFPABSTLCTFGU-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.77
Rot. Bonds8

About 2,4,5,8,10-pentamethylundecane

2,4,5,8,10-pentamethylundecane (PubChem CID 123878114) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 2,4,5,8,10-pentamethylundecane.

Molecular Properties

Compound Name2,4,5,8,10-pentamethylundecane
PubChem CID123878114
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name2,4,5,8,10-pentamethylundecane
SMILESCC(C)CC(C)CCC(C)C(C)CC(C)C
InChIInChI=1S/C16H34/c1-12(2)10-14(5)8-9-15(6)16(7)11-13(3)4/h12-16H,8-11H2,1-7H3
InChIKeyFHFPABSTLCTFGU-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4,5,8-tetramethylundecane
CID 123839422
3,4,6-trimethylheptan-1-ol
CID 139847668
7-fluoro-2,4-dimethyloctane
CID 134387791
2,4,7,9-tetramethylundecane
CID 91346710
2,4,5,7-tetramethylundecane
CID 91373064
ethane;2-methylpropane;propane;2,4,7-trimethyloctane
CID 144533739
1-bromo-3,5-dimethylhexane
CID 10867183
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
2,4,5-trimethyldodecane
CID 123969029
5,6,8-trimethylnon-1-ene
CID 123478459
1-chloro-2,3,5-trimethylhexane
CID 130519679

Frequently Asked Questions

What is the IUPAC name of 2,4,5,8,10-pentamethylundecane?
The IUPAC name of 2,4,5,8,10-pentamethylundecane (CID 123878114) is 2,4,5,8,10-pentamethylundecane.
What is the SMILES notation for 2,4,5,8,10-pentamethylundecane?
The canonical SMILES for 2,4,5,8,10-pentamethylundecane is CC(C)CC(C)CCC(C)C(C)CC(C)C.
What is the InChIKey of 2,4,5,8,10-pentamethylundecane?
The InChIKey is FHFPABSTLCTFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-12(2)10-14(5)8-9-15(6)16(7)11-13(3)4/h12-16H,8-11H2,1-7H3.
What are the key properties of 2,4,5,8,10-pentamethylundecane?
2,4,5,8,10-pentamethylundecane has a molecular weight of 226.45 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,8,10-pentamethylundecane is sourced from PubChem (CID 123878114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).