bis(2-methylheptane);propane

C19H44 — CID 158714851

IUPACbis(2-methylheptane);propane
SMILESCCC.CCCCCC(C)C.CCCCCC(C)C
InChIInChI=1S/2C8H18.C3H8/c2*1-4-5-6-7-8(2)3;1-3-2/h2*8H,4-7H2,1-3H3;3H2,1-2H3
InChIKeyIJELPWYTZYXALK-UHFFFAOYSA-N
MW272.56 g/mol
LogP7.86
Rot. Bonds8

About bis(2-methylheptane);propane

bis(2-methylheptane);propane (PubChem CID 158714851) has the molecular formula C19H44 and a molecular weight of 272.56 g/mol. Its IUPAC name is bis(2-methylheptane);propane.

Molecular Properties

Compound Namebis(2-methylheptane);propane
PubChem CID158714851
Molecular FormulaC19H44
Molecular Weight272.56 g/mol
Exact Mass272.34
IUPAC Namebis(2-methylheptane);propane
SMILESCCC.CCCCCC(C)C.CCCCCC(C)C
InChIInChI=1S/2C8H18.C3H8/c2*1-4-5-6-7-8(2)3;1-3-2/h2*8H,4-7H2,1-3H3;3H2,1-2H3
InChIKeyIJELPWYTZYXALK-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.56
LogP ≤ 57.86
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

ethane;methane;2-methylheptane;propane
CID 143683767
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
mercury;2-methylheptane
CID 175108338
2-methyltetratriacontane
CID 14275207
λ2-plumbane;2-methylheptane
CID 175297432
cobalt;2-methylheptane
CID 175521472
2-methyloctacosane
CID 519147
lithium;hydride;2-methylheptane
CID 173040195
azane;2-methyloctadecane
CID 175414560
2-methylnonane;heptahydrofluoride
CID 160801749
alumane;2-methyldecane
CID 174844655

Frequently Asked Questions

What is the IUPAC name of bis(2-methylheptane);propane?
The IUPAC name of bis(2-methylheptane);propane (CID 158714851) is bis(2-methylheptane);propane.
What is the SMILES notation for bis(2-methylheptane);propane?
The canonical SMILES for bis(2-methylheptane);propane is CCC.CCCCCC(C)C.CCCCCC(C)C.
What is the InChIKey of bis(2-methylheptane);propane?
The InChIKey is IJELPWYTZYXALK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18.C3H8/c2*1-4-5-6-7-8(2)3;1-3-2/h2*8H,4-7H2,1-3H3;3H2,1-2H3.
What are the key properties of bis(2-methylheptane);propane?
bis(2-methylheptane);propane has a molecular weight of 272.56 g/mol, XLogP of 7.86, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylheptane);propane is sourced from PubChem (CID 158714851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).