2-methylbutane;2-methyltridecane

C19H42 — CID 54106775

IUPAC2-methylbutane;2-methyltridecane
SMILESCCC(C)C.CCCCCCCCCCCC(C)C
InChIInChI=1S/C14H30.C5H12/c1-4-5-6-7-8-9-10-11-12-13-14(2)3;1-4-5(2)3/h14H,4-13H2,1-3H3;5H,4H2,1-3H3
InChIKeyNEHOBYOEGVZAFD-UHFFFAOYSA-N
MW270.54 g/mol
LogP7.62
Rot. Bonds11

About 2-methylbutane;2-methyltridecane

2-methylbutane;2-methyltridecane (PubChem CID 54106775) has the molecular formula C19H42 and a molecular weight of 270.54 g/mol. Its IUPAC name is 2-methylbutane;2-methyltridecane.

Molecular Properties

Compound Name2-methylbutane;2-methyltridecane
PubChem CID54106775
Molecular FormulaC19H42
Molecular Weight270.54 g/mol
Exact Mass270.33
IUPAC Name2-methylbutane;2-methyltridecane
SMILESCCC(C)C.CCCCCCCCCCCC(C)C
InChIInChI=1S/C14H30.C5H12/c1-4-5-6-7-8-9-10-11-12-13-14(2)3;1-4-5(2)3/h14H,4-13H2,1-3H3;5H,4H2,1-3H3
InChIKeyNEHOBYOEGVZAFD-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.54
LogP ≤ 57.62
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

2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
alumane;2-methyldecane
CID 174844655
azane;2-methyloctadecane
CID 175414560
2-methylnonane;heptahydrofluoride
CID 160801749
methane;2-methylicosane
CID 157337652
2-methyltricosane;hydrate
CID 172783998
2-methylheptadecane;hydrobromide
CID 174866228
ethane;2-methyloctane;pentane
CID 144527652
mercury;2-methylheptane
CID 175108338

Frequently Asked Questions

What is the IUPAC name of 2-methylbutane;2-methyltridecane?
The IUPAC name of 2-methylbutane;2-methyltridecane (CID 54106775) is 2-methylbutane;2-methyltridecane.
What is the SMILES notation for 2-methylbutane;2-methyltridecane?
The canonical SMILES for 2-methylbutane;2-methyltridecane is CCC(C)C.CCCCCCCCCCCC(C)C.
What is the InChIKey of 2-methylbutane;2-methyltridecane?
The InChIKey is NEHOBYOEGVZAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30.C5H12/c1-4-5-6-7-8-9-10-11-12-13-14(2)3;1-4-5(2)3/h14H,4-13H2,1-3H3;5H,4H2,1-3H3.
What are the key properties of 2-methylbutane;2-methyltridecane?
2-methylbutane;2-methyltridecane has a molecular weight of 270.54 g/mol, XLogP of 7.62, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane;2-methyltridecane is sourced from PubChem (CID 54106775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).