2-methyl-5-(2-methylpropyl)nonane

C14H30 — CID 57492288

IUPAC2-methyl-5-(2-methylpropyl)nonane
SMILESCCCCC(CCC(C)C)CC(C)C
InChIInChI=1S/C14H30/c1-6-7-8-14(11-13(4)5)10-9-12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyNJPYMZFYMHQOIV-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds8

About 2-methyl-5-(2-methylpropyl)nonane

2-methyl-5-(2-methylpropyl)nonane (PubChem CID 57492288) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)nonane.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)nonane
PubChem CID57492288
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name2-methyl-5-(2-methylpropyl)nonane
SMILESCCCCC(CCC(C)C)CC(C)C
InChIInChI=1S/C14H30/c1-6-7-8-14(11-13(4)5)10-9-12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyNJPYMZFYMHQOIV-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5R)-2-methyl-5-propylnonane
CID 162842430
ethane;2-methyl-5-propylnonane
CID 171073854
8-ethyl-2-methyl-4-propyldodecane
CID 123360222
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
5,9-dibutyl-7-methyltridecane
CID 20810653
4-ethyl-2,7-dimethyloctane
CID 53423923
trimethyl-[(2S)-2-(2-methylpropyl)hexyl]azanium
CID 170444964
2-methyl-5-propyltridecane
CID 123255718
4-ethyl-2-methyldecane
CID 19893744
3-ethyl-2-methyl-5-(2-methylpropyl)nonane
CID 123359342
5,7-dibutylundecane;nonane
CID 159714693
5-butyl-2,3-dimethylnonane
CID 123894711

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)nonane?
The IUPAC name of 2-methyl-5-(2-methylpropyl)nonane (CID 57492288) is 2-methyl-5-(2-methylpropyl)nonane.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)nonane?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)nonane is CCCCC(CCC(C)C)CC(C)C.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)nonane?
The InChIKey is NJPYMZFYMHQOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-6-7-8-14(11-13(4)5)10-9-12(2)3/h12-14H,6-11H2,1-5H3.
What are the key properties of 2-methyl-5-(2-methylpropyl)nonane?
2-methyl-5-(2-methylpropyl)nonane has a molecular weight of 198.39 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)nonane is sourced from PubChem (CID 57492288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).