4-methyl-4-propylnonane

C13H28 — CID 54241684

IUPAC4-methyl-4-propylnonane
SMILESCCCCCC(C)(CCC)CCC
InChIInChI=1S/C13H28/c1-5-8-9-12-13(4,10-6-2)11-7-3/h5-12H2,1-4H3
InChIKeyOCIYOAUHXXPINR-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.17
Rot. Bonds8

About 4-methyl-4-propylnonane

4-methyl-4-propylnonane (PubChem CID 54241684) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 4-methyl-4-propylnonane.

Molecular Properties

Compound Name4-methyl-4-propylnonane
PubChem CID54241684
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name4-methyl-4-propylnonane
SMILESCCCCCC(C)(CCC)CCC
InChIInChI=1S/C13H28/c1-5-8-9-12-13(4,10-6-2)11-7-3/h5-12H2,1-4H3
InChIKeyOCIYOAUHXXPINR-UHFFFAOYSA-N
XLogP5.17
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 ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
5-butyl-5-methylpentadecane
CID 174700907
ethane;4-ethyl-4-methylnonane
CID 164538733
4-(bromomethyl)-4-methylnonane
CID 66048915
2-methyl-2-propyldecan-1-ol
CID 66025468
2-methyl-2-propyldodecan-1-amine
CID 55195079
CID 173498091
CID 173498091
N-ethyl-3-methyl-3-propyldodecan-1-amine
CID 163931988
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyldodecane
CID 56619966
3-ethyl-3-methyltetradecane
CID 54159558

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propylnonane?
The IUPAC name of 4-methyl-4-propylnonane (CID 54241684) is 4-methyl-4-propylnonane.
What is the SMILES notation for 4-methyl-4-propylnonane?
The canonical SMILES for 4-methyl-4-propylnonane is CCCCCC(C)(CCC)CCC.
What is the InChIKey of 4-methyl-4-propylnonane?
The InChIKey is OCIYOAUHXXPINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-5-8-9-12-13(4,10-6-2)11-7-3/h5-12H2,1-4H3.
What are the key properties of 4-methyl-4-propylnonane?
4-methyl-4-propylnonane has a molecular weight of 184.37 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propylnonane is sourced from PubChem (CID 54241684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).