2,20-dimethylhenicosa-1,20-diene;ethane;propane

C28H58 — CID 156639867

IUPAC2,20-dimethylhenicosa-1,20-diene;ethane;propane
SMILESC=C(C)CCCCCCCCCCCCCCCCCC(=C)C.CC.CCC
InChIInChI=1S/C23H44.C3H8.C2H6/c1-22(2)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23(3)4;1-3-2;1-2/h1,3,5-21H2,2,4H3;3H2,1-2H3;1-2H3
InChIKeyWAQQKYJLKMGIKR-UHFFFAOYSA-N
MW394.77 g/mol
LogP11.21
Rot. Bonds18

About 2,20-dimethylhenicosa-1,20-diene;ethane;propane

2,20-dimethylhenicosa-1,20-diene;ethane;propane (PubChem CID 156639867) has the molecular formula C28H58 and a molecular weight of 394.77 g/mol. Its IUPAC name is 2,20-dimethylhenicosa-1,20-diene;ethane;propane.

Molecular Properties

Compound Name2,20-dimethylhenicosa-1,20-diene;ethane;propane
PubChem CID156639867
Molecular FormulaC28H58
Molecular Weight394.77 g/mol
Exact Mass394.45
IUPAC Name2,20-dimethylhenicosa-1,20-diene;ethane;propane
SMILESC=C(C)CCCCCCCCCCCCCCCCCC(=C)C.CC.CCC
InChIInChI=1S/C23H44.C3H8.C2H6/c1-22(2)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23(3)4;1-3-2;1-2/h1,3,5-21H2,2,4H3;3H2,1-2H3;1-2H3
InChIKeyWAQQKYJLKMGIKR-UHFFFAOYSA-N
XLogP11.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.77
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methyloct-1-ene;propane
CID 177190898
2,14-dimethylpentadeca-1,14-diene
CID 123962057
ethane;2-methyloct-1-ene
CID 143077596
ethane;2-methylhept-1-ene
CID 143682307
2-methyltetradec-1-ene
CID 521375
2,7-dimethylocta-1,7-diene;hydron
CID 174323451
8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine
CID 167036786
2-methylhex-1-ene
CID 158402499
19-methylicos-19-en-2-one
CID 170573260
8-chloro-2-methyloct-1-ene
CID 24721692
ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene
CID 143703494
N-(6-methylhept-6-enyl)-N-propyloctan-1-amine
CID 167036910

Frequently Asked Questions

What is the IUPAC name of 2,20-dimethylhenicosa-1,20-diene;ethane;propane?
The IUPAC name of 2,20-dimethylhenicosa-1,20-diene;ethane;propane (CID 156639867) is 2,20-dimethylhenicosa-1,20-diene;ethane;propane.
What is the SMILES notation for 2,20-dimethylhenicosa-1,20-diene;ethane;propane?
The canonical SMILES for 2,20-dimethylhenicosa-1,20-diene;ethane;propane is C=C(C)CCCCCCCCCCCCCCCCCC(=C)C.CC.CCC.
What is the InChIKey of 2,20-dimethylhenicosa-1,20-diene;ethane;propane?
The InChIKey is WAQQKYJLKMGIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44.C3H8.C2H6/c1-22(2)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23(3)4;1-3-2;1-2/h1,3,5-21H2,2,4H3;3H2,1-2H3;1-2H3.
What are the key properties of 2,20-dimethylhenicosa-1,20-diene;ethane;propane?
2,20-dimethylhenicosa-1,20-diene;ethane;propane has a molecular weight of 394.77 g/mol, XLogP of 11.21, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,20-dimethylhenicosa-1,20-diene;ethane;propane is sourced from PubChem (CID 156639867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).