6,7-dibutyldodeca-5,7-diene

C20H38 — CID 10875610

IUPAC6,7-dibutyldodeca-5,7-diene
SMILESCCCCC=C(CCCC)C(=CCCCC)CCCC
InChIInChI=1S/C20H38/c1-5-9-13-17-19(15-11-7-3)20(16-12-8-4)18-14-10-6-2/h17-18H,5-16H2,1-4H3
InChIKeyKFUJYKGCPKORDM-UHFFFAOYSA-N
MW278.52 g/mol
LogP7.60
Rot. Bonds13

About 6,7-dibutyldodeca-5,7-diene

6,7-dibutyldodeca-5,7-diene (PubChem CID 10875610) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 6,7-dibutyldodeca-5,7-diene.

Molecular Properties

Compound Name6,7-dibutyldodeca-5,7-diene
PubChem CID10875610
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name6,7-dibutyldodeca-5,7-diene
SMILESCCCCC=C(CCCC)C(=CCCCC)CCCC
InChIInChI=1S/C20H38/c1-5-9-13-17-19(15-11-7-3)20(16-12-8-4)18-14-10-6-2/h17-18H,5-16H2,1-4H3
InChIKeyKFUJYKGCPKORDM-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Lycopene
CID 446925
Phytoene
CID 5280784
All-Trans-Phytofluene
CID 6436722
xi-Carotene
CID 5280788
Neurosporene
CID 5280789
15-cis-Phytoene
CID 9963391
15,9'-Di-cis-phytofluene
CID 51351778
Prolycopene
CID 10918539
All-trans-3,4-didehydrolycopene
CID 16061227
7,9,9'-Tri-cis-neurosporene
CID 25244751
Zeta-Carotene
CID 6440490
(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaene
CID 6443791

Frequently Asked Questions

What is the IUPAC name of 6,7-dibutyldodeca-5,7-diene?
The IUPAC name of 6,7-dibutyldodeca-5,7-diene (CID 10875610) is 6,7-dibutyldodeca-5,7-diene.
What is the SMILES notation for 6,7-dibutyldodeca-5,7-diene?
The canonical SMILES for 6,7-dibutyldodeca-5,7-diene is CCCCC=C(CCCC)C(=CCCCC)CCCC.
What is the InChIKey of 6,7-dibutyldodeca-5,7-diene?
The InChIKey is KFUJYKGCPKORDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-5-9-13-17-19(15-11-7-3)20(16-12-8-4)18-14-10-6-2/h17-18H,5-16H2,1-4H3.
What are the key properties of 6,7-dibutyldodeca-5,7-diene?
6,7-dibutyldodeca-5,7-diene has a molecular weight of 278.52 g/mol, XLogP of 7.60, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibutyldodeca-5,7-diene is sourced from PubChem (CID 10875610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).