2,4,5,6,8,9,10,12-octamethyltridecane

C21H44 — CID 159934910

IUPAC2,4,5,6,8,9,10,12-octamethyltridecane
SMILESCC(C)CC(C)C(C)C(C)CC(C)C(C)C(C)CC(C)C
InChIInChI=1S/C21H44/c1-14(2)11-16(5)20(9)18(7)13-19(8)21(10)17(6)12-15(3)4/h14-21H,11-13H2,1-10H3
InChIKeyRFBDKUVNHXDVBX-UHFFFAOYSA-N
MW296.58 g/mol
LogP7.29
Rot. Bonds10

About 2,4,5,6,8,9,10,12-octamethyltridecane

2,4,5,6,8,9,10,12-octamethyltridecane (PubChem CID 159934910) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 2,4,5,6,8,9,10,12-octamethyltridecane.

Molecular Properties

Compound Name2,4,5,6,8,9,10,12-octamethyltridecane
PubChem CID159934910
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name2,4,5,6,8,9,10,12-octamethyltridecane
SMILESCC(C)CC(C)C(C)C(C)CC(C)C(C)C(C)CC(C)C
InChIInChI=1S/C21H44/c1-14(2)11-16(5)20(9)18(7)13-19(8)21(10)17(6)12-15(3)4/h14-21H,11-13H2,1-10H3
InChIKeyRFBDKUVNHXDVBX-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R,5R)-2,3,5,6-tetramethylheptane
CID 102426642
2,4-dimethylpentane
CID 157050020
2,4,5,6,10-pentamethyltridecane
CID 123410368
1-chloro-2,3,5-trimethylhexane
CID 130519679
2,4,6-trimethyl-3-propan-2-ylheptane
CID 57491411
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane
CID 20659071
2,4-dimethylpentane;methane
CID 159476318
alumane;2,4,5-trimethylheptane
CID 174508217
ethane;2,4,5-trimethylheptane
CID 142268679
2,3,5-trimethylhexane-1-thiol
CID 56980634
bis(3-ethyl-2,5-dimethylhexane);2,3,5-trimethylhexane
CID 158124922
N,3,5-trimethylhexan-2-amine
CID 60995864

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6,8,9,10,12-octamethyltridecane?
The IUPAC name of 2,4,5,6,8,9,10,12-octamethyltridecane (CID 159934910) is 2,4,5,6,8,9,10,12-octamethyltridecane.
What is the SMILES notation for 2,4,5,6,8,9,10,12-octamethyltridecane?
The canonical SMILES for 2,4,5,6,8,9,10,12-octamethyltridecane is CC(C)CC(C)C(C)C(C)CC(C)C(C)C(C)CC(C)C.
What is the InChIKey of 2,4,5,6,8,9,10,12-octamethyltridecane?
The InChIKey is RFBDKUVNHXDVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-14(2)11-16(5)20(9)18(7)13-19(8)21(10)17(6)12-15(3)4/h14-21H,11-13H2,1-10H3.
What are the key properties of 2,4,5,6,8,9,10,12-octamethyltridecane?
2,4,5,6,8,9,10,12-octamethyltridecane has a molecular weight of 296.58 g/mol, XLogP of 7.29, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6,8,9,10,12-octamethyltridecane is sourced from PubChem (CID 159934910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).