(5R)-2-methyl-5-propylnonane

C13H28 — CID 162842430

IUPAC(5R)-2-methyl-5-propylnonane
SMILESCCCC[C@@H](CCC)CCC(C)C
InChIInChI=1S/C13H28/c1-5-7-9-13(8-6-2)11-10-12(3)4/h12-13H,5-11H2,1-4H3/t13-/m1/s1
InChIKeyCABCROIGBFQLHZ-CYBMUJFWSA-N
MW184.37 g/mol
LogP5.03
Rot. Bonds8

About (5R)-2-methyl-5-propylnonane

(5R)-2-methyl-5-propylnonane (PubChem CID 162842430) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is (5R)-2-methyl-5-propylnonane.

Molecular Properties

Compound Name(5R)-2-methyl-5-propylnonane
PubChem CID162842430
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name(5R)-2-methyl-5-propylnonane
SMILESCCCC[C@@H](CCC)CCC(C)C
InChIInChI=1S/C13H28/c1-5-7-9-13(8-6-2)11-10-12(3)4/h12-13H,5-11H2,1-4H3/t13-/m1/s1
InChIKeyCABCROIGBFQLHZ-CYBMUJFWSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
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

ethane;2-methyl-5-propylnonane
CID 171073854
2-methyl-5-propyltridecane
CID 123255718
2,8-dimethyl-5-propylnonane
CID 57014492
methane;4-propyloctane
CID 160687994
5,9-dibutyl-13-propylheptadecane
CID 58862392
2-methyl-5-(2-methylpropyl)nonane
CID 57492288
2-methyl-6-propyldodecane
CID 545626
7-butyl-4-methylundecane
CID 59977721
1,1-difluoro-4-propyloctane
CID 142584368
N,N,8-trimethyl-5-propylnonan-1-amine
CID 123144577
5-ethylnonane;5-propylnonane
CID 157441807
5-propylpentacosane
CID 91493421

Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-5-propylnonane?
The IUPAC name of (5R)-2-methyl-5-propylnonane (CID 162842430) is (5R)-2-methyl-5-propylnonane.
What is the SMILES notation for (5R)-2-methyl-5-propylnonane?
The canonical SMILES for (5R)-2-methyl-5-propylnonane is CCCC[C@@H](CCC)CCC(C)C.
What is the InChIKey of (5R)-2-methyl-5-propylnonane?
The InChIKey is CABCROIGBFQLHZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H28/c1-5-7-9-13(8-6-2)11-10-12(3)4/h12-13H,5-11H2,1-4H3/t13-/m1/s1.
What are the key properties of (5R)-2-methyl-5-propylnonane?
(5R)-2-methyl-5-propylnonane has a molecular weight of 184.37 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-5-propylnonane is sourced from PubChem (CID 162842430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).