hexadeca-4,12-diene

C16H30 — CID 71384995

IUPAChexadeca-4,12-diene
SMILESCCCC=CCCCCCCC=CCCC
InChIInChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h7-10H,3-6,11-16H2,1-2H3
InChIKeyCRWFDRDBMNWHPA-UHFFFAOYSA-N
MW222.42 g/mol
LogP6.04
Rot. Bonds11

About hexadeca-4,12-diene

hexadeca-4,12-diene (PubChem CID 71384995) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is hexadeca-4,12-diene.

Molecular Properties

Compound Namehexadeca-4,12-diene
PubChem CID71384995
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Namehexadeca-4,12-diene
SMILESCCCC=CCCCCCCC=CCCC
InChIInChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h7-10H,3-6,11-16H2,1-2H3
InChIKeyCRWFDRDBMNWHPA-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 56.04
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

tricosa-4,19-diene
CID 142680711
(Z)-tridec-4-ene
CID 5362712
(Z)-tridec-6-ene;(Z)-undec-4-ene
CID 161365587
henicosa-4,14-diene
CID 91309991
dodec-4-ene;hydrochloride
CID 175415968
pentadeca-4,8-diene
CID 90864504
pentadeca-4,10-diene
CID 54306056
dodec-4-ene;ethene
CID 175558519
ethane;henicos-4-ene;propane
CID 144512101
(11E)-pentadeca-1,11-diene
CID 15206768
(Z)-undec-7-en-1-ol
CID 93484782
(E)-hexadec-12-en-1-ol
CID 6431319

Frequently Asked Questions

What is the IUPAC name of hexadeca-4,12-diene?
The IUPAC name of hexadeca-4,12-diene (CID 71384995) is hexadeca-4,12-diene.
What is the SMILES notation for hexadeca-4,12-diene?
The canonical SMILES for hexadeca-4,12-diene is CCCC=CCCCCCCC=CCCC.
What is the InChIKey of hexadeca-4,12-diene?
The InChIKey is CRWFDRDBMNWHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h7-10H,3-6,11-16H2,1-2H3.
What are the key properties of hexadeca-4,12-diene?
hexadeca-4,12-diene has a molecular weight of 222.42 g/mol, XLogP of 6.04, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-4,12-diene is sourced from PubChem (CID 71384995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).