5,6-dipropyldeca-4,6-diene

C16H30 — CID 11123092

IUPAC5,6-dipropyldeca-4,6-diene
SMILESCCCC=C(CCC)C(=CCCC)CCC
InChIInChI=1S/C16H30/c1-5-9-13-15(11-7-3)16(12-8-4)14-10-6-2/h13-14H,5-12H2,1-4H3
InChIKeyKSJCIAUDPFFNTB-UHFFFAOYSA-N
MW222.42 g/mol
LogP6.04
Rot. Bonds9

About 5,6-dipropyldeca-4,6-diene

5,6-dipropyldeca-4,6-diene (PubChem CID 11123092) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 5,6-dipropyldeca-4,6-diene.

Molecular Properties

Compound Name5,6-dipropyldeca-4,6-diene
PubChem CID11123092
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name5,6-dipropyldeca-4,6-diene
SMILESCCCC=C(CCC)C(=CCCC)CCC
InChIInChI=1S/C16H30/c1-5-9-13-15(11-7-3)16(12-8-4)14-10-6-2/h13-14H,5-12H2,1-4H3
InChIKeyKSJCIAUDPFFNTB-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E,E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene
CID 6443227
4-Propyl-3-heptene
CID 138270
p-Mentha-1,3,8-triene
CID 176983
(2Z)-3-Methyl-4-methylideneoct-2-ene
CID 121232770
Sylveterpinolene
CID 524200
2-Methyl-2-undecene
CID 549973
Cyclohexene, 1-pentyl-
CID 139915
Cembrene C
CID 14336535
4-Nonene, 5-butyl-
CID 300477
1-Methylcyclooctene
CID 5352545
Cyclopentene, 1-butyl-
CID 137594
(E,Z)-2,4-Dodecadiene
CID 5365771

Frequently Asked Questions

What is the IUPAC name of 5,6-dipropyldeca-4,6-diene?
The IUPAC name of 5,6-dipropyldeca-4,6-diene (CID 11123092) is 5,6-dipropyldeca-4,6-diene.
What is the SMILES notation for 5,6-dipropyldeca-4,6-diene?
The canonical SMILES for 5,6-dipropyldeca-4,6-diene is CCCC=C(CCC)C(=CCCC)CCC.
What is the InChIKey of 5,6-dipropyldeca-4,6-diene?
The InChIKey is KSJCIAUDPFFNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-5-9-13-15(11-7-3)16(12-8-4)14-10-6-2/h13-14H,5-12H2,1-4H3.
What are the key properties of 5,6-dipropyldeca-4,6-diene?
5,6-dipropyldeca-4,6-diene has a molecular weight of 222.42 g/mol, XLogP of 6.04, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dipropyldeca-4,6-diene is sourced from PubChem (CID 11123092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).