2,4-dimethyl-4-propyloctane

C13H28 — CID 57491235

IUPAC2,4-dimethyl-4-propyloctane
SMILESCCCCC(C)(CCC)CC(C)C
InChIInChI=1S/C13H28/c1-6-8-10-13(5,9-7-2)11-12(3)4/h12H,6-11H2,1-5H3
InChIKeyMWWSZUKMDIBTOP-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.03
Rot. Bonds7

About 2,4-dimethyl-4-propyloctane

2,4-dimethyl-4-propyloctane (PubChem CID 57491235) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 2,4-dimethyl-4-propyloctane.

Molecular Properties

Compound Name2,4-dimethyl-4-propyloctane
PubChem CID57491235
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name2,4-dimethyl-4-propyloctane
SMILESCCCCC(C)(CCC)CC(C)C
InChIInChI=1S/C13H28/c1-6-8-10-13(5,9-7-2)11-12(3)4/h12H,6-11H2,1-5H3
InChIKeyMWWSZUKMDIBTOP-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(7S)-5,7-dimethyl-5-propylundecane
CID 175363506
4-ethyl-2,4,6-trimethyl-6-propylundecane
CID 123302800
4-ethyl-2,4-dimethylundecane
CID 22481197
4-ethyl-4-methyloctane;propane
CID 176660925
4-methyl-4-propylnonane
CID 54241684
5-(2-methylpropyl)nonan-5-amine
CID 88761377
CID 173498091
CID 173498091
4-bromo-2-methyl-4-(2-methylpropyl)octane
CID 175058351
pentacontane;2,2,4-trimethylpentane
CID 174882537
3-methyl-3-propylhexane-1,1-diol
CID 88855080
2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine
CID 63509093
2,11-dimethyl-11-(2-methylbutyl)octadecane
CID 90943555

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-propyloctane?
The IUPAC name of 2,4-dimethyl-4-propyloctane (CID 57491235) is 2,4-dimethyl-4-propyloctane.
What is the SMILES notation for 2,4-dimethyl-4-propyloctane?
The canonical SMILES for 2,4-dimethyl-4-propyloctane is CCCCC(C)(CCC)CC(C)C.
What is the InChIKey of 2,4-dimethyl-4-propyloctane?
The InChIKey is MWWSZUKMDIBTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-6-8-10-13(5,9-7-2)11-12(3)4/h12H,6-11H2,1-5H3.
What are the key properties of 2,4-dimethyl-4-propyloctane?
2,4-dimethyl-4-propyloctane has a molecular weight of 184.37 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-propyloctane is sourced from PubChem (CID 57491235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).