4-propylnon-3-ene

C12H24 — CID 57321984

IUPAC4-propylnon-3-ene
SMILESCCC=C(CCC)CCCCC
InChIInChI=1S/C12H24/c1-4-7-8-11-12(9-5-2)10-6-3/h9H,4-8,10-11H2,1-3H3
InChIKeyQYKZQMQULKCCLM-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.70
Rot. Bonds7

About 4-propylnon-3-ene

4-propylnon-3-ene (PubChem CID 57321984) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 4-propylnon-3-ene.

Molecular Properties

Compound Name4-propylnon-3-ene
PubChem CID57321984
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name4-propylnon-3-ene
SMILESCCC=C(CCC)CCCCC
InChIInChI=1S/C12H24/c1-4-7-8-11-12(9-5-2)10-6-3/h9H,4-8,10-11H2,1-3H3
InChIKeyQYKZQMQULKCCLM-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.70
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-(2-methylpropyl)dec-3-ene
CID 123648559
[(Z)-2-propylhept-1-enyl]cyclopentane
CID 134978984
5-butylicos-4-ene
CID 54084142
(E)-5-butyltridec-4-ene
CID 12531554
2-methyl-6-propyltridec-5-ene
CID 91251562
6-ethylidenehexadecane
CID 169207706
4-methylheptadec-3-ene
CID 59169426
4-hexyldec-3-enal
CID 122396286
2-hexyldec-1-en-1-ol
CID 85340680
5-butyldec-5-ene
CID 15367252
(E)-3-propylnon-2-enoic acid
CID 176810822
(Z)-dodec-3-en-4-amine
CID 21249690

Frequently Asked Questions

What is the IUPAC name of 4-propylnon-3-ene?
The IUPAC name of 4-propylnon-3-ene (CID 57321984) is 4-propylnon-3-ene.
What is the SMILES notation for 4-propylnon-3-ene?
The canonical SMILES for 4-propylnon-3-ene is CCC=C(CCC)CCCCC.
What is the InChIKey of 4-propylnon-3-ene?
The InChIKey is QYKZQMQULKCCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-4-7-8-11-12(9-5-2)10-6-3/h9H,4-8,10-11H2,1-3H3.
What are the key properties of 4-propylnon-3-ene?
4-propylnon-3-ene has a molecular weight of 168.32 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylnon-3-ene is sourced from PubChem (CID 57321984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).