deca-1,9-diene;deca-1,9-diyne

C20H32 — CID 167656021

IUPACdeca-1,9-diene;deca-1,9-diyne
SMILESC#CCCCCCCC#C.C=CCCCCCCC=C
InChIInChI=1S/C10H18.C10H14/c2*1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-10H2;1-2H,5-10H2
InChIKeyRGRSMQWXIRAKJA-UHFFFAOYSA-N
MW272.48 g/mol
LogP6.29
Rot. Bonds12

About deca-1,9-diene;deca-1,9-diyne

deca-1,9-diene;deca-1,9-diyne (PubChem CID 167656021) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is deca-1,9-diene;deca-1,9-diyne.

Molecular Properties

Compound Namedeca-1,9-diene;deca-1,9-diyne
PubChem CID167656021
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Namedeca-1,9-diene;deca-1,9-diyne
SMILESC#CCCCCCCC#C.C=CCCCCCCC=C
InChIInChI=1S/C10H18.C10H14/c2*1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-10H2;1-2H,5-10H2
InChIKeyRGRSMQWXIRAKJA-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.29
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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heptadeca-1,16-diene
CID 6429392
oct-7-enenitrile
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5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne
CID 161104978
(3S,4S)-3-non-8-enyl-4-pent-4-ynyloxetan-2-one
CID 86656473
dec-1-en-9-yn-5-one
CID 14265374
icosa-1,9,19-triene
CID 57001912
heptahexaconta-1,23,66-triene
CID 57275880
2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane
CID 11149074
(8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne
CID 140886931

Frequently Asked Questions

What is the IUPAC name of deca-1,9-diene;deca-1,9-diyne?
The IUPAC name of deca-1,9-diene;deca-1,9-diyne (CID 167656021) is deca-1,9-diene;deca-1,9-diyne.
What is the SMILES notation for deca-1,9-diene;deca-1,9-diyne?
The canonical SMILES for deca-1,9-diene;deca-1,9-diyne is C#CCCCCCCC#C.C=CCCCCCCC=C.
What is the InChIKey of deca-1,9-diene;deca-1,9-diyne?
The InChIKey is RGRSMQWXIRAKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C10H14/c2*1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-10H2;1-2H,5-10H2.
What are the key properties of deca-1,9-diene;deca-1,9-diyne?
deca-1,9-diene;deca-1,9-diyne has a molecular weight of 272.48 g/mol, XLogP of 6.29, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deca-1,9-diene;deca-1,9-diyne is sourced from PubChem (CID 167656021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).