4-(2-methylpropyl)dec-3-ene

C14H28 — CID 123648559

IUPAC4-(2-methylpropyl)dec-3-ene
SMILESCCC=C(CCCCCC)CC(C)C
InChIInChI=1S/C14H28/c1-5-7-8-9-11-14(10-6-2)12-13(3)4/h10,13H,5-9,11-12H2,1-4H3
InChIKeyJZIVZJSIKXCIAU-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.34
Rot. Bonds8

About 4-(2-methylpropyl)dec-3-ene

4-(2-methylpropyl)dec-3-ene (PubChem CID 123648559) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 4-(2-methylpropyl)dec-3-ene.

Molecular Properties

Compound Name4-(2-methylpropyl)dec-3-ene
PubChem CID123648559
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name4-(2-methylpropyl)dec-3-ene
SMILESCCC=C(CCCCCC)CC(C)C
InChIInChI=1S/C14H28/c1-5-7-8-9-11-14(10-6-2)12-13(3)4/h10,13H,5-9,11-12H2,1-4H3
InChIKeyJZIVZJSIKXCIAU-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.34
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

4-ethylidene-2-methyloctadecane
CID 173360395
4-propylnon-3-ene
CID 57321984
2-propylidenedecane-1,1-diol
CID 174657973
(E)-11-(5-methylhexyl)henicos-10-ene
CID 155621794
2-methyl-6-propyltridec-5-ene
CID 91251562
2-methylhexadecan-4-one
CID 63411798
6-ethylidenehexadecane
CID 169207706
4-methylheptadec-3-ene
CID 59169426
2-hexyldec-1-en-1-ol
CID 85340680
5-butylicos-4-ene
CID 54084142
(Z)-dodec-3-en-4-amine
CID 21249690
4-fluoroundec-3-ene
CID 141013194

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)dec-3-ene?
The IUPAC name of 4-(2-methylpropyl)dec-3-ene (CID 123648559) is 4-(2-methylpropyl)dec-3-ene.
What is the SMILES notation for 4-(2-methylpropyl)dec-3-ene?
The canonical SMILES for 4-(2-methylpropyl)dec-3-ene is CCC=C(CCCCCC)CC(C)C.
What is the InChIKey of 4-(2-methylpropyl)dec-3-ene?
The InChIKey is JZIVZJSIKXCIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-5-7-8-9-11-14(10-6-2)12-13(3)4/h10,13H,5-9,11-12H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)dec-3-ene?
4-(2-methylpropyl)dec-3-ene has a molecular weight of 196.38 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)dec-3-ene is sourced from PubChem (CID 123648559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).