2,2-dimethylpropane;ethane;2-methylheptane

C19H48 — CID 143493212

IUPAC2,2-dimethylpropane;ethane;2-methylheptane
SMILESCC.CC.CC.CC(C)(C)C.CCCCCC(C)C
InChIInChI=1S/C8H18.C5H12.3C2H6/c1-4-5-6-7-8(2)3;1-5(2,3)4;3*1-2/h8H,4-7H2,1-3H3;1-4H3;3*1-2H3
InChIKeyQMBACIKGXQWOPJ-UHFFFAOYSA-N
MW276.59 g/mol
LogP8.35
Rot. Bonds4

About 2,2-dimethylpropane;ethane;2-methylheptane

2,2-dimethylpropane;ethane;2-methylheptane (PubChem CID 143493212) has the molecular formula C19H48 and a molecular weight of 276.59 g/mol. Its IUPAC name is 2,2-dimethylpropane;ethane;2-methylheptane.

Molecular Properties

Compound Name2,2-dimethylpropane;ethane;2-methylheptane
PubChem CID143493212
Molecular FormulaC19H48
Molecular Weight276.59 g/mol
Exact Mass276.38
IUPAC Name2,2-dimethylpropane;ethane;2-methylheptane
SMILESCC.CC.CC.CC(C)(C)C.CCCCCC(C)C
InChIInChI=1S/C8H18.C5H12.3C2H6/c1-4-5-6-7-8(2)3;1-5(2,3)4;3*1-2/h8H,4-7H2,1-3H3;1-4H3;3*1-2H3
InChIKeyQMBACIKGXQWOPJ-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.59
LogP ≤ 58.35
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;2-methyloctane;pentane
CID 144527652
ethane;methane;2-methylheptane;propane
CID 143683767
2-methylpentaoctacontane
CID 90745672
bis(2-methylheptane);propane
CID 158714851
2-methyldecane
CID 23415
mercury;2-methylheptane
CID 175108338
2-methyltetratriacontane
CID 14275207
λ2-plumbane;2-methylheptane
CID 175297432
ethane;hexane;2-methylhexane
CID 142051007
cobalt;2-methylheptane
CID 175521472
2-methyloctacosane
CID 519147
lithium;hydride;2-methylheptane
CID 173040195

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;ethane;2-methylheptane?
The IUPAC name of 2,2-dimethylpropane;ethane;2-methylheptane (CID 143493212) is 2,2-dimethylpropane;ethane;2-methylheptane.
What is the SMILES notation for 2,2-dimethylpropane;ethane;2-methylheptane?
The canonical SMILES for 2,2-dimethylpropane;ethane;2-methylheptane is CC.CC.CC.CC(C)(C)C.CCCCCC(C)C.
What is the InChIKey of 2,2-dimethylpropane;ethane;2-methylheptane?
The InChIKey is QMBACIKGXQWOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C5H12.3C2H6/c1-4-5-6-7-8(2)3;1-5(2,3)4;3*1-2/h8H,4-7H2,1-3H3;1-4H3;3*1-2H3.
What are the key properties of 2,2-dimethylpropane;ethane;2-methylheptane?
2,2-dimethylpropane;ethane;2-methylheptane has a molecular weight of 276.59 g/mol, XLogP of 8.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;ethane;2-methylheptane is sourced from PubChem (CID 143493212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).