2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene

C18H36 — CID 54471611

IUPAC2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene
SMILESCCCCCCC=C(CC(C)C)C(C)CC(C)C
InChIInChI=1S/C18H36/c1-7-8-9-10-11-12-18(14-16(4)5)17(6)13-15(2)3/h12,15-17H,7-11,13-14H2,1-6H3
InChIKeyXITHTPJBPKMHFU-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.61
Rot. Bonds10

About 2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene

2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene (PubChem CID 54471611) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene.

Molecular Properties

Compound Name2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene
PubChem CID54471611
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene
SMILESCCCCCCC=C(CC(C)C)C(C)CC(C)C
InChIInChI=1S/C18H36/c1-7-8-9-10-11-12-18(14-16(4)5)17(6)13-15(2)3/h12,15-17H,7-11,13-14H2,1-6H3
InChIKeyXITHTPJBPKMHFU-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.61
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

2,4,5-trimethyldec-5-ene
CID 123184332
3-propyldodec-3-en-2-ol
CID 71375191
(E)-2,4-dichlorodec-4-ene
CID 23264631
2,4-dimethylpentane;ethane;heptane
CID 153392396
(E)-2-iodonon-2-ene
CID 10444893
7,8-dimethyltridec-6-ene
CID 123214902
(Z,4R)-2-methyldodec-5-en-4-ol
CID 14961442
undec-1-ene-1,1-diol
CID 87556705
4-methylhexadec-4-ene
CID 174447790
(E)-11-(5-methylhexyl)henicos-10-ene
CID 155621794
(E,3R)-5-iodo-2-methylhexadec-5-en-3-ol
CID 101378954
(E)-1-(2-methylpropylselanyl)oct-1-ene-1-thiol
CID 134873313

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene?
The IUPAC name of 2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene (CID 54471611) is 2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene.
What is the SMILES notation for 2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene?
The canonical SMILES for 2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene is CCCCCCC=C(CC(C)C)C(C)CC(C)C.
What is the InChIKey of 2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene?
The InChIKey is XITHTPJBPKMHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-7-8-9-10-11-12-18(14-16(4)5)17(6)13-15(2)3/h12,15-17H,7-11,13-14H2,1-6H3.
What are the key properties of 2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene?
2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene has a molecular weight of 252.49 g/mol, XLogP of 6.61, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(2-methylpropyl)dodec-5-ene is sourced from PubChem (CID 54471611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).