2,2-dimethylpropane;ethane;3-ethylheptane;9-ethylnonadecane;7-ethylpentadecane;2-methylpentane;propane

C75H176 — CID 159772745

IUPAC2,2-dimethylpropane;ethane;3-ethylheptane;9-ethylnonadecane;7-ethylpentadecane;2-methylpentane;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CCC.CCCC(C)C.CCCCC(CC)CC.CCCCCCCCC(CC)CCCCCC.CCCCCCCCCCC(CC)CCCCCCCC
InChIInChI=1S/C21H44.C17H36.C9H20.C6H14.C5H12.C3H8.7C2H6/c1-4-7-9-11-13-14-16-18-20-21(6-3)19-17-15-12-10-8-5-2;1-4-7-9-11-12-14-16-17(6-3)15-13-10-8-5-2;1-4-7-8-9(5-2)6-3;1-4-5-6(2)3;1-5(2,3)4;1-3-2;7*1-2/h21H,4-20H2,1-3H3;17H,4-16H2,1-3H3;9H,4-8H2,1-3H3;6H,4-5H2,1-3H3;1-4H3;3H2,1-2H3;7*1-2H3
InChIKeyNGIGKTFANLBWHW-UHFFFAOYSA-N
MW1078.23 g/mol
LogP31.74
Rot. Bonds37

About 2,2-dimethylpropane;ethane;3-ethylheptane;9-ethylnonadecane;7-ethylpentadecane;2-methylpentane;propane

2,2-dimethylpropane;ethane;3-ethylheptane;9-ethylnonadecane;7-ethylpentadecane;2-methylpentane;propane (PubChem CID 159772745) has the molecular formula C75H176 and a molecular weight of 1078.23 g/mol. Its IUPAC name is 2,2-dimethylpropane;ethane;3-ethylheptane;9-ethylnonadecane;7-ethylpentadecane;2-methylpentane;propane.

Molecular Properties

Compound Name2,2-dimethylpropane;ethane;3-ethylheptane;9-ethylnonadecane;7-ethylpentadecane;2-methylpentane;propane
PubChem CID159772745
Molecular FormulaC75H176
Molecular Weight1078.23 g/mol
Exact Mass1077.38
IUPAC Name2,2-dimethylpropane;ethane;3-ethylheptane;9-ethylnonadecane;7-ethylpentadecane;2-methylpentane;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CCC.CCCC(C)C.CCCCC(CC)CC.CCCCCCCCC(CC)CCCCCC.CCCCCCCCCCC(CC)CCCCCCCC
InChIInChI=1S/C21H44.C17H36.C9H20.C6H14.C5H12.C3H8.7C2H6/c1-4-7-9-11-13-14-16-18-20-21(6-3)19-17-15-12-10-8-5-2;1-4-7-9-11-12-14-16-17(6-3)15-13-10-8-5-2;1-4-7-8-9(5-2)6-3;1-4-5-6(2)3;1-5(2,3)4;1-3-2;7*1-2/h21H,4-20H2,1-3H3;17H,4-16H2,1-3H3;9H,4-8H2,1-3H3;6H,4-5H2,1-3H3;1-4H3;3H2,1-2H3;7*1-2H3
InChIKeyNGIGKTFANLBWHW-UHFFFAOYSA-N
XLogP31.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds37
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001078.23
LogP ≤ 531.74
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;3-ethylundecane
CID 144815521
butane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane
CID 159422954
10-ethyl-2-methyltridecane
CID 173195663
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
2,2-dimethylpropane;ethane;2-methylheptane
CID 143493212
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
3-ethyloctane;propane
CID 143682929
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;ethane;3-ethylheptane;9-ethylnonadecane;7-ethylpentadecane;2-methylpentane;propane?
The IUPAC name of 2,2-dimethylpropane;ethane;3-ethylheptane;9-ethylnonadecane;7-ethylpentadecane;2-methylpentane;propane (CID 159772745) is 2,2-dimethylpropane;ethane;3-ethylheptane;9-ethylnonadecane;7-ethylpentadecane;2-methylpentane;propane.
What is the SMILES notation for 2,2-dimethylpropane;ethane;3-ethylheptane;9-ethylnonadecane;7-ethylpentadecane;2-methylpentane;propane?
The canonical SMILES for 2,2-dimethylpropane;ethane;3-ethylheptane;9-ethylnonadecane;7-ethylpentadecane;2-methylpentane;propane is CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CCC.CCCC(C)C.CCCCC(CC)CC.CCCCCCCCC(CC)CCCCCC.CCCCCCCCCCC(CC)CCCCCCCC.
What is the InChIKey of 2,2-dimethylpropane;ethane;3-ethylheptane;9-ethylnonadecane;7-ethylpentadecane;2-methylpentane;propane?
The InChIKey is NGIGKTFANLBWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44.C17H36.C9H20.C6H14.C5H12.C3H8.7C2H6/c1-4-7-9-11-13-14-16-18-20-21(6-3)19-17-15-12-10-8-5-2;1-4-7-9-11-12-14-16-17(6-3)15-13-10-8-5-2;1-4-7-8-9(5-2)6-3;1-4-5-6(2)3;1-5(2,3)4;1-3-2;7*1-2/h21H,4-20H2,1-3H3;17H,4-16H2,1-3H3;9H,4-8H2,1-3H3;6H,4-5H2,1-3H3;1-4H3;3H2,1-2H3;7*1-2H3.
What are the key properties of 2,2-dimethylpropane;ethane;3-ethylheptane;9-ethylnonadecane;7-ethylpentadecane;2-methylpentane;propane?
2,2-dimethylpropane;ethane;3-ethylheptane;9-ethylnonadecane;7-ethylpentadecane;2-methylpentane;propane has a molecular weight of 1078.23 g/mol, XLogP of 31.74, 37 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;ethane;3-ethylheptane;9-ethylnonadecane;7-ethylpentadecane;2-methylpentane;propane is sourced from PubChem (CID 159772745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).