4-tert-butyloct-3-ene

C12H24 — CID 123879820

IUPAC4-tert-butyloct-3-ene
SMILESCCC=C(CCCC)C(C)(C)C
InChIInChI=1S/C12H24/c1-6-8-10-11(9-7-2)12(3,4)5/h9H,6-8,10H2,1-5H3
InChIKeyMLKNBWGIXMPWFF-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.56
Rot. Bonds4

About 4-tert-butyloct-3-ene

4-tert-butyloct-3-ene (PubChem CID 123879820) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 4-tert-butyloct-3-ene.

Molecular Properties

Compound Name4-tert-butyloct-3-ene
PubChem CID123879820
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name4-tert-butyloct-3-ene
SMILESCCC=C(CCCC)C(C)(C)C
InChIInChI=1S/C12H24/c1-6-8-10-11(9-7-2)12(3,4)5/h9H,6-8,10H2,1-5H3
InChIKeyMLKNBWGIXMPWFF-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(trifluoromethyl)tetradec-3-ene
CID 11536279
4-(triethoxymethyl)dodec-3-ene
CID 152586980
(E)-4-tert-butyloct-4-ene
CID 140632550
4-methyloct-3-ene
CID 85445337
(Z)-4-(trifluoromethyl)hept-3-ene
CID 174331610
(E)-4-butyl-3-ethylnon-4-en-3-ol
CID 10823146
3-ethyl-2,2-dimethylhept-3-ene
CID 54053277
4,7,7-trimethyldodec-3-ene
CID 123515373
4-propylnon-3-ene
CID 57321984
4-methylheptadec-3-ene
CID 59169426
1,1-difluorobut-1-ene;pentanoic acid
CID 174479516
(Z)-dodec-3-en-4-amine
CID 21249690

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyloct-3-ene?
The IUPAC name of 4-tert-butyloct-3-ene (CID 123879820) is 4-tert-butyloct-3-ene.
What is the SMILES notation for 4-tert-butyloct-3-ene?
The canonical SMILES for 4-tert-butyloct-3-ene is CCC=C(CCCC)C(C)(C)C.
What is the InChIKey of 4-tert-butyloct-3-ene?
The InChIKey is MLKNBWGIXMPWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-8-10-11(9-7-2)12(3,4)5/h9H,6-8,10H2,1-5H3.
What are the key properties of 4-tert-butyloct-3-ene?
4-tert-butyloct-3-ene has a molecular weight of 168.32 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyloct-3-ene is sourced from PubChem (CID 123879820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).