3,7-dideuteriohept-1-ene

C7H14 — CID 152644056

IUPAC3,7-dideuteriohept-1-ene
SMILES[2H]CCCCC([2H])C=C
InChIInChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3/i2D,5D
InChIKeyZGEGCLOFRBLKSE-GSUVGXDCSA-N
MW100.20 g/mol
LogP2.75
Rot. Bonds5

About 3,7-dideuteriohept-1-ene

3,7-dideuteriohept-1-ene (PubChem CID 152644056) has the molecular formula C7H14 and a molecular weight of 100.20 g/mol. Its IUPAC name is 3,7-dideuteriohept-1-ene.

Molecular Properties

Compound Name3,7-dideuteriohept-1-ene
PubChem CID152644056
Molecular FormulaC7H14
Molecular Weight100.20 g/mol
Exact Mass100.12
IUPAC Name3,7-dideuteriohept-1-ene
SMILES[2H]CCCCC([2H])C=C
InChIInChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3/i2D,5D
InChIKeyZGEGCLOFRBLKSE-GSUVGXDCSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.20
LogP ≤ 52.75
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

6-deuteriohex-1-ene
CID 134979988
1,7-dideuterioheptane
CID 150574490
1,16-dideuteriohexadecane
CID 150004781
1-deuteriononadecane
CID 175850975
1-deuteriodecane
CID 10877229
1-deuterioheptane
CID 59547460
5-deuteriopentan-1-ol
CID 58290914
bismuthane;oct-1-ene;sulfane
CID 174601016
but-1-ene;ethane;nonane
CID 170645806
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
non-1-ene
CID 141296734

Frequently Asked Questions

What is the IUPAC name of 3,7-dideuteriohept-1-ene?
The IUPAC name of 3,7-dideuteriohept-1-ene (CID 152644056) is 3,7-dideuteriohept-1-ene.
What is the SMILES notation for 3,7-dideuteriohept-1-ene?
The canonical SMILES for 3,7-dideuteriohept-1-ene is [2H]CCCCC([2H])C=C.
What is the InChIKey of 3,7-dideuteriohept-1-ene?
The InChIKey is ZGEGCLOFRBLKSE-GSUVGXDCSA-N. The full InChI is InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3/i2D,5D.
What are the key properties of 3,7-dideuteriohept-1-ene?
3,7-dideuteriohept-1-ene has a molecular weight of 100.20 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dideuteriohept-1-ene is sourced from PubChem (CID 152644056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).