3,8-dimethylidenetetradecane;bis(oct-1-ene)

C32H62 — CID 173443691

IUPAC3,8-dimethylidenetetradecane;bis(oct-1-ene)
SMILESC=C(CC)CCCCC(=C)CCCCCC.C=CCCCCCC.C=CCCCCCC
InChIInChI=1S/C16H30.2C8H16/c1-5-7-8-9-13-16(4)14-11-10-12-15(3)6-2;2*1-3-5-7-8-6-4-2/h3-14H2,1-2H3;2*3H,1,4-8H2,2H3
InChIKeyPYPMEBOLYBNUPE-UHFFFAOYSA-N
MW446.85 g/mol
LogP12.33
Rot. Bonds21

About 3,8-dimethylidenetetradecane;bis(oct-1-ene)

3,8-dimethylidenetetradecane;bis(oct-1-ene) (PubChem CID 173443691) has the molecular formula C32H62 and a molecular weight of 446.85 g/mol. Its IUPAC name is 3,8-dimethylidenetetradecane;bis(oct-1-ene).

Molecular Properties

Compound Name3,8-dimethylidenetetradecane;bis(oct-1-ene)
PubChem CID173443691
Molecular FormulaC32H62
Molecular Weight446.85 g/mol
Exact Mass446.49
IUPAC Name3,8-dimethylidenetetradecane;bis(oct-1-ene)
SMILESC=C(CC)CCCCC(=C)CCCCCC.C=CCCCCCC.C=CCCCCCC
InChIInChI=1S/C16H30.2C8H16/c1-5-7-8-9-13-16(4)14-11-10-12-15(3)6-2;2*1-3-5-7-8-6-4-2/h3-14H2,1-2H3;2*3H,1,4-8H2,2H3
InChIKeyPYPMEBOLYBNUPE-UHFFFAOYSA-N
XLogP12.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.85
LogP ≤ 512.33
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

8-methylidenedodec-1-ene
CID 169088157
3,8-dimethylidenetetradecane
CID 173410299
7-methylidenedec-1-ene
CID 123417470
3-methylidenedecane
CID 21453024
9-methylideneicosa-1,19-diene
CID 173334659
6-methylidenetetradecane
CID 21477883
6-methylidenedodecane
CID 21453027
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethylidenetetradecane;bis(oct-1-ene)?
The IUPAC name of 3,8-dimethylidenetetradecane;bis(oct-1-ene) (CID 173443691) is 3,8-dimethylidenetetradecane;bis(oct-1-ene).
What is the SMILES notation for 3,8-dimethylidenetetradecane;bis(oct-1-ene)?
The canonical SMILES for 3,8-dimethylidenetetradecane;bis(oct-1-ene) is C=C(CC)CCCCC(=C)CCCCCC.C=CCCCCCC.C=CCCCCCC.
What is the InChIKey of 3,8-dimethylidenetetradecane;bis(oct-1-ene)?
The InChIKey is PYPMEBOLYBNUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30.2C8H16/c1-5-7-8-9-13-16(4)14-11-10-12-15(3)6-2;2*1-3-5-7-8-6-4-2/h3-14H2,1-2H3;2*3H,1,4-8H2,2H3.
What are the key properties of 3,8-dimethylidenetetradecane;bis(oct-1-ene)?
3,8-dimethylidenetetradecane;bis(oct-1-ene) has a molecular weight of 446.85 g/mol, XLogP of 12.33, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethylidenetetradecane;bis(oct-1-ene) is sourced from PubChem (CID 173443691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).