2,4,6-trimethyl-3-propan-2-ylheptane

C13H28 — CID 57491411

IUPAC2,4,6-trimethyl-3-propan-2-ylheptane
SMILESCC(C)CC(C)C(C(C)C)C(C)C
InChIInChI=1S/C13H28/c1-9(2)8-12(7)13(10(3)4)11(5)6/h9-13H,8H2,1-7H3
InChIKeyXYPUTUUHYLWAIU-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.60
Rot. Bonds5

About 2,4,6-trimethyl-3-propan-2-ylheptane

2,4,6-trimethyl-3-propan-2-ylheptane (PubChem CID 57491411) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-propan-2-ylheptane.

Molecular Properties

Compound Name2,4,6-trimethyl-3-propan-2-ylheptane
PubChem CID57491411
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name2,4,6-trimethyl-3-propan-2-ylheptane
SMILESCC(C)CC(C)C(C(C)C)C(C)C
InChIInChI=1S/C13H28/c1-9(2)8-12(7)13(10(3)4)11(5)6/h9-13H,8H2,1-7H3
InChIKeyXYPUTUUHYLWAIU-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4,5,6,8,9,10,12-octamethyltridecane
CID 159934910
2,4-dimethylpentane
CID 157050020
2,2,4,6-tetramethylheptan-3-ol
CID 89214446
1-chloro-2,3,5-trimethylhexane
CID 130519679
5-hexan-3-yl-2,3,4,6,8-pentamethylnonane
CID 123283653
2,4-dimethylpentane;methane
CID 159476318
2,4-dimethyl-3-propan-2-ylheptane
CID 53423714
ethane;2,4,5-trimethylheptane
CID 142268679
3,5-dimethyl-4-propan-2-ylhexane-1-thiol
CID 123460007
alumane;2,4,5-trimethylheptane
CID 174508217
2,3,5-trimethylhexane-1-thiol
CID 56980634
bis(3-ethyl-2,5-dimethylhexane);2,3,5-trimethylhexane
CID 158124922

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3-propan-2-ylheptane?
The IUPAC name of 2,4,6-trimethyl-3-propan-2-ylheptane (CID 57491411) is 2,4,6-trimethyl-3-propan-2-ylheptane.
What is the SMILES notation for 2,4,6-trimethyl-3-propan-2-ylheptane?
The canonical SMILES for 2,4,6-trimethyl-3-propan-2-ylheptane is CC(C)CC(C)C(C(C)C)C(C)C.
What is the InChIKey of 2,4,6-trimethyl-3-propan-2-ylheptane?
The InChIKey is XYPUTUUHYLWAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-9(2)8-12(7)13(10(3)4)11(5)6/h9-13H,8H2,1-7H3.
What are the key properties of 2,4,6-trimethyl-3-propan-2-ylheptane?
2,4,6-trimethyl-3-propan-2-ylheptane has a molecular weight of 184.37 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-propan-2-ylheptane is sourced from PubChem (CID 57491411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).