henicosa-4,14-diene

C21H40 — CID 91309991

IUPAChenicosa-4,14-diene
SMILESCCCC=CCCCCCCCCC=CCCCCCC
InChIInChI=1S/C21H40/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h7,9,14,16H,3-6,8,10-13,15,17-21H2,1-2H3
InChIKeyIFAWAJCLYWCHIY-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.99
Rot. Bonds16

About henicosa-4,14-diene

henicosa-4,14-diene (PubChem CID 91309991) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is henicosa-4,14-diene.

Molecular Properties

Compound Namehenicosa-4,14-diene
PubChem CID91309991
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Namehenicosa-4,14-diene
SMILESCCCC=CCCCCCCCCC=CCCCCCC
InChIInChI=1S/C21H40/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h7,9,14,16H,3-6,8,10-13,15,17-21H2,1-2H3
InChIKeyIFAWAJCLYWCHIY-UHFFFAOYSA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.99
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

(Z)-tridec-4-ene
CID 5362712
(Z)-tridec-6-ene;(Z)-undec-4-ene
CID 161365587
dodec-4-ene;hydrochloride
CID 175415968
pentadeca-4,8-diene
CID 90864504
ethane;henicos-4-ene;propane
CID 144512101
dodec-4-ene;ethene
CID 175558519
(E)-nonacos-10-ene
CID 14367300
(E)-hexadec-6-ene
CID 5352260
(Z)-tricos-11-ene
CID 5356790
(E)-hexacos-10-ene
CID 22172169
(Z)-docos-9-ene
CID 11690102
triacont-12-ene
CID 54535715

Frequently Asked Questions

What is the IUPAC name of henicosa-4,14-diene?
The IUPAC name of henicosa-4,14-diene (CID 91309991) is henicosa-4,14-diene.
What is the SMILES notation for henicosa-4,14-diene?
The canonical SMILES for henicosa-4,14-diene is CCCC=CCCCCCCCCC=CCCCCCC.
What is the InChIKey of henicosa-4,14-diene?
The InChIKey is IFAWAJCLYWCHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h7,9,14,16H,3-6,8,10-13,15,17-21H2,1-2H3.
What are the key properties of henicosa-4,14-diene?
henicosa-4,14-diene has a molecular weight of 292.55 g/mol, XLogP of 7.99, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for henicosa-4,14-diene is sourced from PubChem (CID 91309991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).